2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide

C15H31N3O — CID 62004877

IUPAC2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN(C)C1(CN)CCCCC1
InChIInChI=1S/C15H31N3O/c1-13(2)7-10-17-14(19)11-18(3)15(12-16)8-5-4-6-9-15/h13H,4-12,16H2,1-3H3,(H,17,19)
InChIKeyNPQWDMOZECMRDD-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.74
Rot. Bonds7

About 2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide

2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide (PubChem CID 62004877) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide
PubChem CID62004877
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN(C)C1(CN)CCCCC1
InChIInChI=1S/C15H31N3O/c1-13(2)7-10-17-14(19)11-18(3)15(12-16)8-5-4-6-9-15/h13H,4-12,16H2,1-3H3,(H,17,19)
InChIKeyNPQWDMOZECMRDD-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-(3-methylbutyl)acetamide
CID 62008536
2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N-ethylacetamide
CID 62008520
2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-butan-2-ylacetamide
CID 62010140
1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclododecan-1-amine
CID 43271985
2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(3-methylbutyl)acetamide
CID 62006572
1-(aminomethyl)-N-methyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 61426013
2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-methyl-N-propan-2-ylacetamide
CID 62010543
1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclopentan-1-amine
CID 43271983
3-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-propan-2-ylpropanamide
CID 55098337
2-[[1-(aminomethyl)cyclohexyl]-propylamino]-N-propylacetamide
CID 62006019
2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)acetamide
CID 62007957
2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N,N-diethylacetamide
CID 62008324

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide (CID 62004877) is 2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CN(C)C1(CN)CCCCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide?
The InChIKey is NPQWDMOZECMRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-13(2)7-10-17-14(19)11-18(3)15(12-16)8-5-4-6-9-15/h13H,4-12,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide?
2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide has a molecular weight of 269.43 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 62004877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).