2-(aminomethyl)-N-(cyclobutylmethyl)-N,4,4-trimethylpentanamide

C14H28N2O — CID 107472079

IUPAC2-(aminomethyl)-N-(cyclobutylmethyl)-N,4,4-trimethylpentanamide
SMILESCN(CC1CCC1)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C14H28N2O/c1-14(2,3)8-12(9-15)13(17)16(4)10-11-6-5-7-11/h11-12H,5-10,15H2,1-4H3
InChIKeyWKTSOWUTJOIDAB-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.26
Rot. Bonds5

About 2-(aminomethyl)-N-(cyclobutylmethyl)-N,4,4-trimethylpentanamide

2-(aminomethyl)-N-(cyclobutylmethyl)-N,4,4-trimethylpentanamide (PubChem CID 107472079) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(cyclobutylmethyl)-N,4,4-trimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(cyclobutylmethyl)-N,4,4-trimethylpentanamide
PubChem CID107472079
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-(aminomethyl)-N-(cyclobutylmethyl)-N,4,4-trimethylpentanamide
SMILESCN(CC1CCC1)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C14H28N2O/c1-14(2,3)8-12(9-15)13(17)16(4)10-11-6-5-7-11/h11-12H,5-10,15H2,1-4H3
InChIKeyWKTSOWUTJOIDAB-UHFFFAOYSA-N
XLogP2.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(cyclopropylmethyl)-N,4,4-trimethylpentanamide
CID 107471602
2-(aminomethyl)-N-(cyclobutylmethyl)-N-methylbutanamide
CID 62860792
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4,4-trimethylpentanamide
CID 107472164
2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N,4,4-trimethylpentanamide
CID 107472450
(2R)-2-amino-N-(cyclobutylmethyl)-N-methylpentanamide
CID 103796269
2-amino-N-(cyclobutylmethyl)-N-methylbutanediamide
CID 62861520
(2S)-2-amino-N-(cyclohexylmethyl)-N,3,3-trimethylbutanamide;hydrochloride
CID 119704436
2-(aminomethyl)-N-butyl-N,4,4-trimethylpentanamide
CID 107470989
5-amino-N-(cyclobutylmethyl)-N,2-dimethylpentanamide
CID 104685012
1-(cyclobutylmethyl)-1-methylurea
CID 62860439
2-amino-N-(cyclopentylmethyl)-N,4-dimethylpentanamide
CID 63654905
3-amino-N-(cyclobutylmethyl)-N-methyl-2-phenylpropanamide
CID 62878205

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(cyclobutylmethyl)-N,4,4-trimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(cyclobutylmethyl)-N,4,4-trimethylpentanamide (CID 107472079) is 2-(aminomethyl)-N-(cyclobutylmethyl)-N,4,4-trimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(cyclobutylmethyl)-N,4,4-trimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(cyclobutylmethyl)-N,4,4-trimethylpentanamide is CN(CC1CCC1)C(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-N-(cyclobutylmethyl)-N,4,4-trimethylpentanamide?
The InChIKey is WKTSOWUTJOIDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2,3)8-12(9-15)13(17)16(4)10-11-6-5-7-11/h11-12H,5-10,15H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-(cyclobutylmethyl)-N,4,4-trimethylpentanamide?
2-(aminomethyl)-N-(cyclobutylmethyl)-N,4,4-trimethylpentanamide has a molecular weight of 240.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(cyclobutylmethyl)-N,4,4-trimethylpentanamide is sourced from PubChem (CID 107472079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).