2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-4,4-dimethylpentanamide

C13H26N2O — CID 107471991

IUPAC2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)NC1CC1(C)C
InChIInChI=1S/C13H26N2O/c1-12(2,3)6-9(8-14)11(16)15-10-7-13(10,4)5/h9-10H,6-8,14H2,1-5H3,(H,15,16)
InChIKeyNAGRAQDQHBLVPD-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.91
Rot. Bonds4

About 2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-4,4-dimethylpentanamide

2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-4,4-dimethylpentanamide (PubChem CID 107471991) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-4,4-dimethylpentanamide
PubChem CID107471991
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)NC1CC1(C)C
InChIInChI=1S/C13H26N2O/c1-12(2,3)6-9(8-14)11(16)15-10-7-13(10,4)5/h9-10H,6-8,14H2,1-5H3,(H,15,16)
InChIKeyNAGRAQDQHBLVPD-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-4,4-dimethylpentanamide
CID 107472621
2-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-4,4-dimethylpentanamide
CID 107472961
2-(aminomethyl)-4,4-dimethyl-N-(1-methylcyclopentyl)pentanamide
CID 107471899
2-(aminomethyl)-4,4-dimethyl-N-(oxolan-3-yl)pentanamide
CID 107472463
2-(aminomethyl)-4,4-dimethyl-N-(thiolan-3-yl)pentanamide
CID 107472858
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 107472105
2-(aminomethyl)-4,4-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide
CID 107472428
2-(aminomethyl)-4,4-dimethyl-N-[(2-methylpropan-2-yl)oxy]pentanamide
CID 107472596
N-[2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]ethyl]cyclopropanecarboxamide
CID 107472733
2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxopiperidin-3-yl)pentanamide
CID 107472255
2-(aminomethyl)-4,4-dimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pentanamide
CID 107471384
2-(aminomethyl)-N-(2,2-dimethylcyclopentyl)pentanamide
CID 79870952

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-4,4-dimethylpentanamide (CID 107471991) is 2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-4,4-dimethylpentanamide is CC(C)(C)CC(CN)C(=O)NC1CC1(C)C.
What is the InChIKey of 2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-4,4-dimethylpentanamide?
The InChIKey is NAGRAQDQHBLVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(2,3)6-9(8-14)11(16)15-10-7-13(10,4)5/h9-10H,6-8,14H2,1-5H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-4,4-dimethylpentanamide?
2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-4,4-dimethylpentanamide has a molecular weight of 226.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,2-dimethylcyclopropyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 107471991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).