3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclohexylpropanamide

C15H29N3O — CID 116653118

IUPAC3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclohexylpropanamide
SMILESCN(CCC(=O)NC1CCCCC1)C(CN)C1CC1
InChIInChI=1S/C15H29N3O/c1-18(14(11-16)12-7-8-12)10-9-15(19)17-13-5-3-2-4-6-13/h12-14H,2-11,16H2,1H3,(H,17,19)
InChIKeyWYRBVBHJYBYDID-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.49
Rot. Bonds7

About 3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclohexylpropanamide

3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclohexylpropanamide (PubChem CID 116653118) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclohexylpropanamide
PubChem CID116653118
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclohexylpropanamide
SMILESCN(CCC(=O)NC1CCCCC1)C(CN)C1CC1
InChIInChI=1S/C15H29N3O/c1-18(14(11-16)12-7-8-12)10-9-15(19)17-13-5-3-2-4-6-13/h12-14H,2-11,16H2,1H3,(H,17,19)
InChIKeyWYRBVBHJYBYDID-UHFFFAOYSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(cyclohexylcarbamoyl)acetamide
CID 116652666
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclopropylacetamide
CID 116652957
4-(aminomethyl)-N-cyclohexylhexanamide
CID 112515401
2-[[2-[(2-amino-1-cyclopropylethyl)-methylamino]acetyl]-methylamino]-N-cyclopropylacetamide
CID 116653040
2-[[3-(cyclohexylamino)-3-oxopropyl]-methylamino]acetic acid
CID 43442622
3-[4-aminobutan-2-yl(methyl)amino]-N-cyclopropylpropanamide
CID 63225816
3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chlorophenyl)propanamide
CID 116652756
1-(2-amino-1-cyclopropylethyl)-3-cyclopropyl-1-methylurea
CID 116652105
N-cyclohexyl-3-(dipropylamino)propanamide
CID 109014002
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-methylacetamide
CID 116652481
N-cycloheptyl-3-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]propanamide
CID 50952353
N-butyl-1-cyclopentyl-N-methylethane-1,2-diamine
CID 62070003

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclohexylpropanamide?
The IUPAC name of 3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclohexylpropanamide (CID 116653118) is 3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclohexylpropanamide.
What is the SMILES notation for 3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclohexylpropanamide?
The canonical SMILES for 3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclohexylpropanamide is CN(CCC(=O)NC1CCCCC1)C(CN)C1CC1.
What is the InChIKey of 3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclohexylpropanamide?
The InChIKey is WYRBVBHJYBYDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-18(14(11-16)12-7-8-12)10-9-15(19)17-13-5-3-2-4-6-13/h12-14H,2-11,16H2,1H3,(H,17,19).
What are the key properties of 3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclohexylpropanamide?
3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclohexylpropanamide has a molecular weight of 267.42 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclohexylpropanamide is sourced from PubChem (CID 116653118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).