2-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide

C16H33N3O — CID 65229264

IUPAC2-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide
SMILESCCCC(CN)C(=O)NCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C16H33N3O/c1-5-7-14(11-17)15(20)18-12-16(19(3)4)9-6-8-13(2)10-16/h13-14H,5-12,17H2,1-4H3,(H,18,20)
InChIKeyZCMJCZRHBUVXLC-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.99
Rot. Bonds7

About 2-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide

2-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide (PubChem CID 65229264) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide
PubChem CID65229264
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide
SMILESCCCC(CN)C(=O)NCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C16H33N3O/c1-5-7-14(11-17)15(20)18-12-16(19(3)4)9-6-8-13(2)10-16/h13-14H,5-12,17H2,1-4H3,(H,18,20)
InChIKeyZCMJCZRHBUVXLC-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide
CID 62668555
(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide
CID 61211559
(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide
CID 61211747
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3,3-dimethylbutanamide
CID 76895695
3-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide
CID 81086937
1-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclopropane-1-carboxamide
CID 115453085
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentanamide
CID 81071607
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide
CID 61210809
2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide
CID 61211937
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpentanamide
CID 61211375
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(1-hydroxypentan-3-yl)urea
CID 111454746
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-ethylpropanamide
CID 61211364

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide (CID 65229264) is 2-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide is CCCC(CN)C(=O)NCC1(N(C)C)CCCC(C)C1.
What is the InChIKey of 2-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide?
The InChIKey is ZCMJCZRHBUVXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-5-7-14(11-17)15(20)18-12-16(19(3)4)9-6-8-13(2)10-16/h13-14H,5-12,17H2,1-4H3,(H,18,20).
What are the key properties of 2-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide?
2-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide has a molecular weight of 283.46 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide is sourced from PubChem (CID 65229264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).