3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride

C15H33Cl2N3O — CID 120503009

IUPAC3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)NCCCN(C)C1CCCCC1.Cl.Cl
InChIInChI=1S/C15H31N3O.2ClH/c1-12(13(2)16)15(19)17-10-7-11-18(3)14-8-5-4-6-9-14;;/h12-14H,4-11,16H2,1-3H3,(H,17,19);2*1H
InChIKeyVYPGGNUGIPOCRD-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.58
Rot. Bonds7

About 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride

3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride (PubChem CID 120503009) has the molecular formula C15H33Cl2N3O and a molecular weight of 342.36 g/mol. Its IUPAC name is 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride
PubChem CID120503009
Molecular FormulaC15H33Cl2N3O
Molecular Weight342.36 g/mol
Exact Mass341.20
IUPAC Name3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)NCCCN(C)C1CCCCC1.Cl.Cl
InChIInChI=1S/C15H31N3O.2ClH/c1-12(13(2)16)15(19)17-10-7-11-18(3)14-8-5-4-6-9-14;;/h12-14H,4-11,16H2,1-3H3,(H,17,19);2*1H
InChIKeyVYPGGNUGIPOCRD-UHFFFAOYSA-N
XLogP2.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.58
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

2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 54880376
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
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]cyclopentane-1-carboxamide
CID 66009397
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride (CID 120503009) is 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride is CC(N)C(C)C(=O)NCCCN(C)C1CCCCC1.Cl.Cl.
What is the InChIKey of 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride?
The InChIKey is VYPGGNUGIPOCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O.2ClH/c1-12(13(2)16)15(19)17-10-7-11-18(3)14-8-5-4-6-9-14;;/h12-14H,4-11,16H2,1-3H3,(H,17,19);2*1H.
What are the key properties of 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride?
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride has a molecular weight of 342.36 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride is sourced from PubChem (CID 120503009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).