2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(3-methylbutyl)acetamide

C17H35N3O — CID 62006572

IUPAC2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(3-methylbutyl)acetamide
SMILESCCN(CC(=O)NCCC(C)C)C1(CN)CCC(C)CC1
InChIInChI=1S/C17H35N3O/c1-5-20(12-16(21)19-11-8-14(2)3)17(13-18)9-6-15(4)7-10-17/h14-15H,5-13,18H2,1-4H3,(H,19,21)
InChIKeyGPWIFYWECULDCG-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.38
Rot. Bonds8

About 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(3-methylbutyl)acetamide

2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(3-methylbutyl)acetamide (PubChem CID 62006572) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(3-methylbutyl)acetamide
PubChem CID62006572
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(3-methylbutyl)acetamide
SMILESCCN(CC(=O)NCCC(C)C)C1(CN)CCC(C)CC1
InChIInChI=1S/C17H35N3O/c1-5-20(12-16(21)19-11-8-14(2)3)17(13-18)9-6-15(4)7-10-17/h14-15H,5-13,18H2,1-4H3,(H,19,21)
InChIKeyGPWIFYWECULDCG-UHFFFAOYSA-N
XLogP2.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(3-methylbutyl)acetamide (CID 62006572) is 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(3-methylbutyl)acetamide is CCN(CC(=O)NCCC(C)C)C1(CN)CCC(C)CC1.
What is the InChIKey of 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(3-methylbutyl)acetamide?
The InChIKey is GPWIFYWECULDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-5-20(12-16(21)19-11-8-14(2)3)17(13-18)9-6-15(4)7-10-17/h14-15H,5-13,18H2,1-4H3,(H,19,21).
What are the key properties of 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(3-methylbutyl)acetamide?
2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(3-methylbutyl)acetamide has a molecular weight of 297.49 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 62006572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).