N-cyclohexyl-2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]acetamide

C15H28N4O — CID 111868426

IUPACN-cyclohexyl-2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CCCCC1)NCC1CC1
InChIInChI=1S/C15H28N4O/c1-2-16-15(17-10-12-8-9-12)18-11-14(20)19-13-6-4-3-5-7-13/h12-13H,2-11H2,1H3,(H,19,20)(H2,16,17,18)
InChIKeyVUVHBXVSUGZARV-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.40
Rot. Bonds6

About N-cyclohexyl-2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]acetamide

N-cyclohexyl-2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]acetamide (PubChem CID 111868426) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-cyclohexyl-2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]acetamide
PubChem CID111868426
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-cyclohexyl-2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CCCCC1)NCC1CC1
InChIInChI=1S/C15H28N4O/c1-2-16-15(17-10-12-8-9-12)18-11-14(20)19-13-6-4-3-5-7-13/h12-13H,2-11H2,1H3,(H,19,20)(H2,16,17,18)
InChIKeyVUVHBXVSUGZARV-UHFFFAOYSA-N
XLogP1.40
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]acetamide
CID 111605945
2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 110992178
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 110965625
N-cyclohexyl-2-[[ethylamino-(2-methoxyethylamino)methylidene]amino]acetamide;hydroiodide
CID 110940777
N-cyclohexyl-2-[[ethylamino-(prop-2-enylamino)methylidene]amino]acetamide
CID 110981261
N-cyclohexyl-2-[[ethylamino-(2-ethylbutylamino)methylidene]amino]acetamide
CID 111890981
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110958738
N-cyclohexyl-2-[[ethylamino-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]acetamide;hydroiodide
CID 111321279
2-[[[(2-tert-butyloxan-3-yl)methylamino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111623207
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-propylacetamide
CID 110958747
ethyl 4-[[N'-[2-(cyclohexylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111329714
N-cyclohexyl-2-[[[(1,1-dioxothiolan-3-yl)amino]-(ethylamino)methylidene]amino]acetamide
CID 111141509

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]acetamide?
The IUPAC name of N-cyclohexyl-2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]acetamide (CID 111868426) is N-cyclohexyl-2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC1CCCCC1)NCC1CC1.
What is the InChIKey of N-cyclohexyl-2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]acetamide?
The InChIKey is VUVHBXVSUGZARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-2-16-15(17-10-12-8-9-12)18-11-14(20)19-13-6-4-3-5-7-13/h12-13H,2-11H2,1H3,(H,19,20)(H2,16,17,18).
What are the key properties of N-cyclohexyl-2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]acetamide?
N-cyclohexyl-2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]acetamide has a molecular weight of 280.42 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]acetamide is sourced from PubChem (CID 111868426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).