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

C16H31N3O — CID 62007288

IUPAC2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-(cyclopropylmethyl)acetamide
SMILESCCN(CC(=O)NCC1CC1)C1(CN)CCCC(C)C1
InChIInChI=1S/C16H31N3O/c1-3-19(11-15(20)18-10-14-6-7-14)16(12-17)8-4-5-13(2)9-16/h13-14H,3-12,17H2,1-2H3,(H,18,20)
InChIKeyJEMKRCJADFYJOB-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.74
Rot. Bonds7

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

2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-(cyclopropylmethyl)acetamide (PubChem CID 62007288) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-(cyclopropylmethyl)acetamide
PubChem CID62007288
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-(cyclopropylmethyl)acetamide
SMILESCCN(CC(=O)NCC1CC1)C1(CN)CCCC(C)C1
InChIInChI=1S/C16H31N3O/c1-3-19(11-15(20)18-10-14-6-7-14)16(12-17)8-4-5-13(2)9-16/h13-14H,3-12,17H2,1-2H3,(H,18,20)
InChIKeyJEMKRCJADFYJOB-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-butylacetamide
CID 62004897
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-cyclopropylacetamide
CID 62007304
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-tert-butylacetamide
CID 62007297
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-cyclopropyl-N-methylacetamide
CID 62007123
3-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-propan-2-ylpropanamide
CID 62624505
1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine
CID 80698860
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-propylacetamide
CID 62007946
2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
CID 62006956
1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-methylcyclohexan-1-amine
CID 62007118
2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-methylacetamide
CID 62006925
1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine
CID 63485990
1-(aminomethyl)-N-ethyl-N-(3-ethylsulfonylpropyl)-3-methylcyclohexan-1-amine
CID 65093979

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-(cyclopropylmethyl)acetamide (CID 62007288) is 2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-(cyclopropylmethyl)acetamide is CCN(CC(=O)NCC1CC1)C1(CN)CCCC(C)C1.
What is the InChIKey of 2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-(cyclopropylmethyl)acetamide?
The InChIKey is JEMKRCJADFYJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-19(11-15(20)18-10-14-6-7-14)16(12-17)8-4-5-13(2)9-16/h13-14H,3-12,17H2,1-2H3,(H,18,20).
What are the key properties of 2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-(cyclopropylmethyl)acetamide?
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-(cyclopropylmethyl)acetamide has a molecular weight of 281.44 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)-3-methylcyclohexyl]-ethylamino]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 62007288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).