2-(aminomethyl)-4,4-dimethyl-N-(4-methylpentyl)pentanamide

C14H30N2O — CID 107471697

IUPAC2-(aminomethyl)-4,4-dimethyl-N-(4-methylpentyl)pentanamide
SMILESCC(C)CCCNC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C14H30N2O/c1-11(2)7-6-8-16-13(17)12(10-15)9-14(3,4)5/h11-12H,6-10,15H2,1-5H3,(H,16,17)
InChIKeyVRIRWVFYDVMPJD-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.55
Rot. Bonds7

About 2-(aminomethyl)-4,4-dimethyl-N-(4-methylpentyl)pentanamide

2-(aminomethyl)-4,4-dimethyl-N-(4-methylpentyl)pentanamide (PubChem CID 107471697) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-dimethyl-N-(4-methylpentyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-dimethyl-N-(4-methylpentyl)pentanamide
PubChem CID107471697
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-(aminomethyl)-4,4-dimethyl-N-(4-methylpentyl)pentanamide
SMILESCC(C)CCCNC(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C14H30N2O/c1-11(2)7-6-8-16-13(17)12(10-15)9-14(3,4)5/h11-12H,6-10,15H2,1-5H3,(H,16,17)
InChIKeyVRIRWVFYDVMPJD-UHFFFAOYSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]butanoic acid
CID 107471722
2-(aminomethyl)-4,4-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide
CID 107471993
2-(aminomethyl)-N-(7-methyloctyl)butanamide
CID 65229476
2-(aminomethyl)-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide
CID 107471013
2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4,4-dimethylpentanamide
CID 107471842
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]propanoic acid
CID 107471719
(2R)-4,4-dimethyl-2-[3-(4-methylpentylamino)-3-oxopropyl]pentanoic acid
CID 167701005
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide
CID 103929431
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-2-methylpropanoic acid
CID 107472063
2-(aminomethyl)-N-(4-methylpentyl)-3-phenylpropanamide
CID 63002980
2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4,4-dimethylpentanamide
CID 107472677
(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
CID 61158361

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(4-methylpentyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(4-methylpentyl)pentanamide (CID 107471697) is 2-(aminomethyl)-4,4-dimethyl-N-(4-methylpentyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4,4-dimethyl-N-(4-methylpentyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-4,4-dimethyl-N-(4-methylpentyl)pentanamide is CC(C)CCCNC(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-4,4-dimethyl-N-(4-methylpentyl)pentanamide?
The InChIKey is VRIRWVFYDVMPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11(2)7-6-8-16-13(17)12(10-15)9-14(3,4)5/h11-12H,6-10,15H2,1-5H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-4,4-dimethyl-N-(4-methylpentyl)pentanamide?
2-(aminomethyl)-4,4-dimethyl-N-(4-methylpentyl)pentanamide has a molecular weight of 242.41 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4-dimethyl-N-(4-methylpentyl)pentanamide is sourced from PubChem (CID 107471697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).