2-[[ethylamino-(heptan-2-ylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide

C20H35N5O — CID 111195844

IUPAC2-[[ethylamino-(heptan-2-ylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
SMILESCCCCCC(C)N/C(=N/CC(=O)N(C)CCc1ccccn1)NCC
InChIInChI=1S/C20H35N5O/c1-5-7-8-11-17(3)24-20(21-6-2)23-16-19(26)25(4)15-13-18-12-9-10-14-22-18/h9-10,12,14,17H,5-8,11,13,15-16H2,1-4H3,(H2,21,23,24)
InChIKeyMVKQNADVKCMFBQ-UHFFFAOYSA-N
MW361.53 g/mol
LogP2.61
Rot. Bonds11

About 2-[[ethylamino-(heptan-2-ylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide

2-[[ethylamino-(heptan-2-ylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 111195844) has the molecular formula C20H35N5O and a molecular weight of 361.53 g/mol. Its IUPAC name is 2-[[ethylamino-(heptan-2-ylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[[ethylamino-(heptan-2-ylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID111195844
Molecular FormulaC20H35N5O
Molecular Weight361.53 g/mol
Exact Mass361.28
IUPAC Name2-[[ethylamino-(heptan-2-ylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
SMILESCCCCCC(C)N/C(=N/CC(=O)N(C)CCc1ccccn1)NCC
InChIInChI=1S/C20H35N5O/c1-5-7-8-11-17(3)24-20(21-6-2)23-16-19(26)25(4)15-13-18-12-9-10-14-22-18/h9-10,12,14,17H,5-8,11,13,15-16H2,1-4H3,(H2,21,23,24)
InChIKeyMVKQNADVKCMFBQ-UHFFFAOYSA-N
XLogP2.61
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(ethylamino)methylideneamino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 110935198
2-[[ethylamino-(hexylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111161206
2-[[ethylamino(propylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111228150
1-ethyl-3-heptan-2-yl-2-(pyridin-2-ylmethyl)guanidine
CID 111195830
2-[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111970775
2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 109471279
2-[[ethylamino-(2-phenylethylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111134904
2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 111962799
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 110958383
2-[[ethylamino-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 111929565
2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111962798
2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111011012

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(heptan-2-ylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-[[ethylamino-(heptan-2-ylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide (CID 111195844) is 2-[[ethylamino-(heptan-2-ylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-[[ethylamino-(heptan-2-ylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-[[ethylamino-(heptan-2-ylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide is CCCCCC(C)N/C(=N/CC(=O)N(C)CCc1ccccn1)NCC.
What is the InChIKey of 2-[[ethylamino-(heptan-2-ylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is MVKQNADVKCMFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O/c1-5-7-8-11-17(3)24-20(21-6-2)23-16-19(26)25(4)15-13-18-12-9-10-14-22-18/h9-10,12,14,17H,5-8,11,13,15-16H2,1-4H3,(H2,21,23,24).
What are the key properties of 2-[[ethylamino-(heptan-2-ylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide?
2-[[ethylamino-(heptan-2-ylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 361.53 g/mol, XLogP of 2.61, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(heptan-2-ylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 111195844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).