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

C15H29N3O — CID 62007304

IUPAC2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-cyclopropylacetamide
SMILESCCN(CC(=O)NC1CC1)C1(CN)CCCC(C)C1
InChIInChI=1S/C15H29N3O/c1-3-18(10-14(19)17-13-6-7-13)15(11-16)8-4-5-12(2)9-15/h12-13H,3-11,16H2,1-2H3,(H,17,19)
InChIKeyXIZZRGIRGMKPNV-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.49
Rot. Bonds6

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

2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-cyclopropylacetamide (PubChem CID 62007304) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-cyclopropylacetamide
PubChem CID62007304
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-cyclopropylacetamide
SMILESCCN(CC(=O)NC1CC1)C1(CN)CCCC(C)C1
InChIInChI=1S/C15H29N3O/c1-3-18(10-14(19)17-13-6-7-13)15(11-16)8-4-5-12(2)9-15/h12-13H,3-11,16H2,1-2H3,(H,17,19)
InChIKeyXIZZRGIRGMKPNV-UHFFFAOYSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-tert-butylacetamide
CID 62007297
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-(cyclopropylmethyl)acetamide
CID 62007288
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-butylacetamide
CID 62004897
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-cyclohexylacetamide
CID 62007948
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)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
CID 62006956
2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-methylacetamide
CID 62006925
1-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylcyclohexane-1-carboxamide
CID 64551042
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-cyclopropylacetamide?
The IUPAC name of 2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-cyclopropylacetamide (CID 62007304) is 2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-cyclopropylacetamide is CCN(CC(=O)NC1CC1)C1(CN)CCCC(C)C1.
What is the InChIKey of 2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-cyclopropylacetamide?
The InChIKey is XIZZRGIRGMKPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-18(10-14(19)17-13-6-7-13)15(11-16)8-4-5-12(2)9-15/h12-13H,3-11,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-cyclopropylacetamide?
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-cyclopropylacetamide has a molecular weight of 267.42 g/mol, XLogP of 1.49, 6 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-cyclopropylacetamide is sourced from PubChem (CID 62007304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).