2-(aminomethyl)-N,N-bis(2-cyanoethyl)-4,4-dimethylpentanamide

C14H24N4O — CID 107471659

IUPAC2-(aminomethyl)-N,N-bis(2-cyanoethyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)N(CCC#N)CCC#N
InChIInChI=1S/C14H24N4O/c1-14(2,3)10-12(11-17)13(19)18(8-4-6-15)9-5-7-16/h12H,4-5,8-11,17H2,1-3H3
InChIKeyIEHGVDUETDZKOU-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.65
Rot. Bonds7

About 2-(aminomethyl)-N,N-bis(2-cyanoethyl)-4,4-dimethylpentanamide

2-(aminomethyl)-N,N-bis(2-cyanoethyl)-4,4-dimethylpentanamide (PubChem CID 107471659) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N,N-bis(2-cyanoethyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N,N-bis(2-cyanoethyl)-4,4-dimethylpentanamide
PubChem CID107471659
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-(aminomethyl)-N,N-bis(2-cyanoethyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)N(CCC#N)CCC#N
InChIInChI=1S/C14H24N4O/c1-14(2,3)10-12(11-17)13(19)18(8-4-6-15)9-5-7-16/h12H,4-5,8-11,17H2,1-3H3
InChIKeyIEHGVDUETDZKOU-UHFFFAOYSA-N
XLogP1.65
TPSA93.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N,N-dibutyl-4,4-dimethylpentanamide
CID 107471112
(2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide
CID 93376202
2-(aminomethyl)-N-ethyl-N-(3-hydroxypropyl)-4,4-dimethylpentanamide
CID 107472719
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-N-(2-methylpropyl)pentanamide
CID 107471656
2-(aminomethyl)-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107471673
(2S)-2-amino-N-(2-cyanoethyl)-N-ethylpropanamide
CID 61148414
3-amino-N-(2-cyanoethyl)-2-methoxy-N-(2-methoxyethyl)propanamide
CID 106112850
N,N-bis(2-cyanoethyl)-2-methylbutanamide
CID 4627836
N-(2-cyanoethyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309842
4-amino-N,N-bis(2-cyanoethyl)-3-methylbutanamide
CID 81087572
2-amino-N-(2-cyanoethyl)-3-methoxy-N-(2-methoxyethyl)propanamide
CID 81088238
2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 107472383

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,N-bis(2-cyanoethyl)-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N,N-bis(2-cyanoethyl)-4,4-dimethylpentanamide (CID 107471659) is 2-(aminomethyl)-N,N-bis(2-cyanoethyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N,N-bis(2-cyanoethyl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N,N-bis(2-cyanoethyl)-4,4-dimethylpentanamide is CC(C)(C)CC(CN)C(=O)N(CCC#N)CCC#N.
What is the InChIKey of 2-(aminomethyl)-N,N-bis(2-cyanoethyl)-4,4-dimethylpentanamide?
The InChIKey is IEHGVDUETDZKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(2,3)10-12(11-17)13(19)18(8-4-6-15)9-5-7-16/h12H,4-5,8-11,17H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N,N-bis(2-cyanoethyl)-4,4-dimethylpentanamide?
2-(aminomethyl)-N,N-bis(2-cyanoethyl)-4,4-dimethylpentanamide has a molecular weight of 264.37 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,N-bis(2-cyanoethyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 107471659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).