2-[[[[2-(azepan-1-yl)-3-methylbutyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide

C19H37N5O — CID 111937327

IUPAC2-[[[[2-(azepan-1-yl)-3-methylbutyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCC(C(C)C)N1CCCCCC1
InChIInChI=1S/C19H37N5O/c1-4-20-19(22-14-18(25)23-16-9-10-16)21-13-17(15(2)3)24-11-7-5-6-8-12-24/h15-17H,4-14H2,1-3H3,(H,23,25)(H2,20,21,22)
InChIKeyDBARDUZKIKQANP-UHFFFAOYSA-N
MW351.54 g/mol
LogP1.72
Rot. Bonds8

About 2-[[[[2-(azepan-1-yl)-3-methylbutyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide

2-[[[[2-(azepan-1-yl)-3-methylbutyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide (PubChem CID 111937327) has the molecular formula C19H37N5O and a molecular weight of 351.54 g/mol. Its IUPAC name is 2-[[[[2-(azepan-1-yl)-3-methylbutyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[[[2-(azepan-1-yl)-3-methylbutyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide
PubChem CID111937327
Molecular FormulaC19H37N5O
Molecular Weight351.54 g/mol
Exact Mass351.30
IUPAC Name2-[[[[2-(azepan-1-yl)-3-methylbutyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCC(C(C)C)N1CCCCCC1
InChIInChI=1S/C19H37N5O/c1-4-20-19(22-14-18(25)23-16-9-10-16)21-13-17(15(2)3)24-11-7-5-6-8-12-24/h15-17H,4-14H2,1-3H3,(H,23,25)(H2,20,21,22)
InChIKeyDBARDUZKIKQANP-UHFFFAOYSA-N
XLogP1.72
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[[[[2-(azepan-1-yl)-3-methylbutyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[[[2-(azepan-1-yl)-3-methylbutyl]amino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111999308
N-cyclopropyl-2-[[ethylamino-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]methylidene]amino]acetamide;hydroiodide
CID 111309049
N-cyclohexyl-2-[[ethylamino-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]acetamide
CID 111326708
2-[[[3-(azepan-1-yl)propylamino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 111325399
N-cyclohexyl-2-[[ethylamino-(2-ethylbutylamino)methylidene]amino]acetamide
CID 111890981
1-ethyl-2-(2-methylpropyl)-3-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111181002
2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 110992178
2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111931131
2-[[[3-(azepan-1-yl)propylamino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111325367
N-cyclohexyl-2-[[ethylamino-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]acetamide;hydroiodide
CID 111321279
1-cyclohexyl-3-(3-methyl-2-piperidin-1-ylbutyl)urea
CID 110402862
1-[2-(azepan-1-yl)-3-methylbutyl]-3-(4-hydroxycyclohexyl)urea
CID 110894656

Frequently Asked Questions

What is the IUPAC name of 2-[[[[2-(azepan-1-yl)-3-methylbutyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[[[2-(azepan-1-yl)-3-methylbutyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide (CID 111937327) is 2-[[[[2-(azepan-1-yl)-3-methylbutyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[[[2-(azepan-1-yl)-3-methylbutyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[[[2-(azepan-1-yl)-3-methylbutyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide is CCN/C(=N\CC(=O)NC1CC1)NCC(C(C)C)N1CCCCCC1.
What is the InChIKey of 2-[[[[2-(azepan-1-yl)-3-methylbutyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide?
The InChIKey is DBARDUZKIKQANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5O/c1-4-20-19(22-14-18(25)23-16-9-10-16)21-13-17(15(2)3)24-11-7-5-6-8-12-24/h15-17H,4-14H2,1-3H3,(H,23,25)(H2,20,21,22).
What are the key properties of 2-[[[[2-(azepan-1-yl)-3-methylbutyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide?
2-[[[[2-(azepan-1-yl)-3-methylbutyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide has a molecular weight of 351.54 g/mol, XLogP of 1.72, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[[2-(azepan-1-yl)-3-methylbutyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide is sourced from PubChem (CID 111937327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).