3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide

C15H31N3O — CID 109016915

IUPAC3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCNC1CCCCCC1
InChIInChI=1S/C15H31N3O/c1-18(2)13-7-11-17-15(19)10-12-16-14-8-5-3-4-6-9-14/h14,16H,3-13H2,1-2H3,(H,17,19)
InChIKeyWBFBLHXXAOXIFI-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.76
Rot. Bonds8

About 3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide

3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide (PubChem CID 109016915) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide
PubChem CID109016915
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCNC1CCCCCC1
InChIInChI=1S/C15H31N3O/c1-18(2)13-7-11-17-15(19)10-12-16-14-8-5-3-4-6-9-14/h14,16H,3-13H2,1-2H3,(H,17,19)
InChIKeyWBFBLHXXAOXIFI-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.76
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

acetic acid;N-cyclopentadecyl-N',N'-dimethylpropane-1,3-diamine
CID 67913130
N-butyl-3-(cyclopentylamino)propanamide
CID 109012177
3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide
CID 109015383
N-[2-(cycloheptylamino)ethyl]-2-(dimethylamino)acetamide
CID 113283329
3-(cyclohexylamino)-N-prop-2-enylpropanamide
CID 109011800
3-(cyclopropylamino)-N-[2-[ethyl(methyl)amino]ethyl]propanamide
CID 62640423
N'-[3-(dimethylamino)propyl]hexanediamide
CID 174324158
N-cyclopentyl-N'-[3-(dimethylamino)propyl]-N'-methylpropane-1,3-diamine
CID 63726529
N'-cyclopropyl-N-[3-(dimethylamino)propyl]propanediamide
CID 108940978
N'-cycloheptyl-N-[3-(diethylamino)propyl]butanediamide
CID 46993948
N-(3-aminopropyl)-3-(cyclopropylamino)propanamide
CID 61275861
3-(cyclopropylamino)-N-(4-methylpentyl)propanamide
CID 61043178

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide?
The IUPAC name of 3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide (CID 109016915) is 3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide.
What is the SMILES notation for 3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide?
The canonical SMILES for 3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide is CN(C)CCCNC(=O)CCNC1CCCCCC1.
What is the InChIKey of 3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide?
The InChIKey is WBFBLHXXAOXIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-18(2)13-7-11-17-15(19)10-12-16-14-8-5-3-4-6-9-14/h14,16H,3-13H2,1-2H3,(H,17,19).
What are the key properties of 3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide?
3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide has a molecular weight of 269.43 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide is sourced from PubChem (CID 109016915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).