3-(aminomethyl)-N,N-diethyl-5-methylhexanamide

C12H26N2O — CID 25143769

IUPAC3-(aminomethyl)-N,N-diethyl-5-methylhexanamide
SMILESCCN(CC)C(=O)CC(CN)CC(C)C
InChIInChI=1S/C12H26N2O/c1-5-14(6-2)12(15)8-11(9-13)7-10(3)4/h10-11H,5-9,13H2,1-4H3
InChIKeyJCHCPCIRGMZUEK-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.87
Rot. Bonds7

About 3-(aminomethyl)-N,N-diethyl-5-methylhexanamide

3-(aminomethyl)-N,N-diethyl-5-methylhexanamide (PubChem CID 25143769) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N,N-diethyl-5-methylhexanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N,N-diethyl-5-methylhexanamide
PubChem CID25143769
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-(aminomethyl)-N,N-diethyl-5-methylhexanamide
SMILESCCN(CC)C(=O)CC(CN)CC(C)C
InChIInChI=1S/C12H26N2O/c1-5-14(6-2)12(15)8-11(9-13)7-10(3)4/h10-11H,5-9,13H2,1-4H3
InChIKeyJCHCPCIRGMZUEK-UHFFFAOYSA-N
XLogP1.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-ethyl-5-methyl-N-(2-methylbutyl)hexanamide
CID 79469974
7-(aminomethyl)-3,9-dimethyldecan-5-one
CID 116576821
3-(aminomethyl)-5-methylhexanoic acid
CID 4715169
(3S)-3-(aminomethyl)-N-ethyl-5-methyl-N-pyridin-4-ylhexanamide
CID 106935311
(3S)-3-(aminomethyl)-N-cyclobutyl-N,5-dimethylhexanamide
CID 104873493
potassium;(3S)-3-(aminomethyl)-5-methylhexanoic acid;hydride
CID 172995124
sodium;(3S)-3-(aminomethyl)-5-methylhexanoic acid;hydride
CID 173084628
(4R)-4-(aminomethyl)-2-methyldodecan-6-one
CID 126693960
4-amino-N,N-diethyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide
CID 66431686
3-(aminomethyl)-N-(2-methoxyethyl)-5-methyl-N-propan-2-ylhexanamide
CID 82948214
4-amino-N,N-diethyl-3-[2-methylpropyl(pentan-3-yl)amino]butanamide
CID 79490448
4-amino-3-[butan-2-yl(ethyl)amino]-N,N-diethylbutanamide
CID 66431882

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,N-diethyl-5-methylhexanamide?
The IUPAC name of 3-(aminomethyl)-N,N-diethyl-5-methylhexanamide (CID 25143769) is 3-(aminomethyl)-N,N-diethyl-5-methylhexanamide.
What is the SMILES notation for 3-(aminomethyl)-N,N-diethyl-5-methylhexanamide?
The canonical SMILES for 3-(aminomethyl)-N,N-diethyl-5-methylhexanamide is CCN(CC)C(=O)CC(CN)CC(C)C.
What is the InChIKey of 3-(aminomethyl)-N,N-diethyl-5-methylhexanamide?
The InChIKey is JCHCPCIRGMZUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-14(6-2)12(15)8-11(9-13)7-10(3)4/h10-11H,5-9,13H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N,N-diethyl-5-methylhexanamide?
3-(aminomethyl)-N,N-diethyl-5-methylhexanamide has a molecular weight of 214.35 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,N-diethyl-5-methylhexanamide is sourced from PubChem (CID 25143769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).