N-[2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]ethyl]cyclopropanecarboxamide

C14H27N3O2 — CID 107472733

IUPACN-[2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]ethyl]cyclopropanecarboxamide
SMILESCC(C)(C)CC(CN)C(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)8-11(9-15)13(19)17-7-6-16-12(18)10-4-5-10/h10-11H,4-9,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyBEJGIFMEEQIKOW-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.64
Rot. Bonds7

About N-[2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]ethyl]cyclopropanecarboxamide

N-[2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]ethyl]cyclopropanecarboxamide (PubChem CID 107472733) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]ethyl]cyclopropanecarboxamide
PubChem CID107472733
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-[2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]ethyl]cyclopropanecarboxamide
SMILESCC(C)(C)CC(CN)C(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)8-11(9-15)13(19)17-7-6-16-12(18)10-4-5-10/h10-11H,4-9,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyBEJGIFMEEQIKOW-UHFFFAOYSA-N
XLogP0.64
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]propanoic acid
CID 107471719
4-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]butanoic acid
CID 107471722
N-[2-(2-aminopentanoylamino)ethyl]cyclopropanecarboxamide
CID 115733623
2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide
CID 113288241
2-(aminomethyl)-4,4-dimethyl-N-(thiolan-3-yl)pentanamide
CID 107472858
N-(4,4-dimethylpentyl)cyclopropanecarboxamide
CID 110421021
N-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]cyclopropanecarboxamide;hydrochloride
CID 119270340
2-(aminomethyl)-4,4-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 107471024
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-2-methylpropanoic acid
CID 107472063
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 107472105
N-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 115738013

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]ethyl]cyclopropanecarboxamide (CID 107472733) is N-[2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]ethyl]cyclopropanecarboxamide is CC(C)(C)CC(CN)C(=O)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is BEJGIFMEEQIKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-14(2,3)8-11(9-15)13(19)17-7-6-16-12(18)10-4-5-10/h10-11H,4-9,15H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 107472733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).