3-amino-N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylbutanamide

C14H29N3O — CID 120872786

IUPAC3-amino-N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylbutanamide
SMILESCC(N)CC(=O)N(C)CCN(C)C1CCCCC1
InChIInChI=1S/C14H29N3O/c1-12(15)11-14(18)17(3)10-9-16(2)13-7-5-4-6-8-13/h12-13H,4-11,15H2,1-3H3
InChIKeyYCJUHMHODSHPDX-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.45
Rot. Bonds6

About 3-amino-N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylbutanamide

3-amino-N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylbutanamide (PubChem CID 120872786) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-amino-N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylbutanamide
PubChem CID120872786
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-amino-N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylbutanamide
SMILESCC(N)CC(=O)N(C)CCN(C)C1CCCCC1
InChIInChI=1S/C14H29N3O/c1-12(15)11-14(18)17(3)10-9-16(2)13-7-5-4-6-8-13/h12-13H,4-11,15H2,1-3H3
InChIKeyYCJUHMHODSHPDX-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylpropanamide
CID 70842283
3-amino-N-(cyclohexylmethyl)-N-methylbutanamide
CID 60963947
(2S,3R)-2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxy-N-methylbutanamide;dihydrochloride
CID 154915839
4-amino-N,3-dimethyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]butanamide
CID 81086817
3-amino-N-methyl-N-(3-methylcyclohexyl)butanamide
CID 61447077
N-(3-aminopropyl)-2-[cycloheptyl(methyl)amino]-N-methylacetamide
CID 43613858
2-amino-4-[cycloheptyl(methyl)amino]butanoic acid
CID 63055281
ethyl 2-amino-4-[cyclohexyl(methyl)amino]butanoate
CID 63030150
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 54880376
2-[3-aminobutanoyl(methyl)amino]acetic acid
CID 61159500
N-[2-[cycloheptyl(methyl)amino]ethyl]-2-methylpropanamide
CID 59205256
3-amino-4-[cyclohexyl(methyl)amino]butanoic acid
CID 115241626

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylbutanamide?
The IUPAC name of 3-amino-N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylbutanamide (CID 120872786) is 3-amino-N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylbutanamide.
What is the SMILES notation for 3-amino-N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylbutanamide?
The canonical SMILES for 3-amino-N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylbutanamide is CC(N)CC(=O)N(C)CCN(C)C1CCCCC1.
What is the InChIKey of 3-amino-N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylbutanamide?
The InChIKey is YCJUHMHODSHPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-12(15)11-14(18)17(3)10-9-16(2)13-7-5-4-6-8-13/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 3-amino-N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylbutanamide?
3-amino-N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylbutanamide has a molecular weight of 255.41 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylbutanamide is sourced from PubChem (CID 120872786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).