2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide

C13H27N3O — CID 54880376

IUPAC2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
SMILESCC(N)C(=O)NCCCN(C)C1CCCCC1
InChIInChI=1S/C13H27N3O/c1-11(14)13(17)15-9-6-10-16(2)12-7-4-3-5-8-12/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyQVDOGJPTCIERHN-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.10
Rot. Bonds6

About 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide

2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide (PubChem CID 54880376) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
PubChem CID54880376
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
SMILESCC(N)C(=O)NCCCN(C)C1CCCCC1
InChIInChI=1S/C13H27N3O/c1-11(14)13(17)15-9-6-10-16(2)12-7-4-3-5-8-12/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyQVDOGJPTCIERHN-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride
CID 120503009
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 107904686
N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide
CID 112685751
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]butanamide
CID 55126074
(2S)-2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-4-methylsulfanylbutanamide
CID 61165155
N-[2-[cycloheptyl(methyl)amino]ethyl]-2-methylpropanamide
CID 59205256
3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid
CID 62230930
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2,2,3-trimethylbutanamide
CID 65269336
6-amino-N-[3-[cyclohexyl(methyl)amino]propyl]hexanamide
CID 60981769
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylpropanamide
CID 114328325
methyl 3-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylpropanoate
CID 54880256
(2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]propanamide
CID 119331863

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide?
The IUPAC name of 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide (CID 54880376) is 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide.
What is the SMILES notation for 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide?
The canonical SMILES for 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide is CC(N)C(=O)NCCCN(C)C1CCCCC1.
What is the InChIKey of 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide?
The InChIKey is QVDOGJPTCIERHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(14)13(17)15-9-6-10-16(2)12-7-4-3-5-8-12/h11-12H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide?
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide has a molecular weight of 241.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide is sourced from PubChem (CID 54880376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).