N-[3-(cyclopropylamino)propyl]-3,5,5-trimethylhexanamide

C15H30N2O — CID 43596504

IUPACN-[3-(cyclopropylamino)propyl]-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NCCCNC1CC1)CC(C)(C)C
InChIInChI=1S/C15H30N2O/c1-12(11-15(2,3)4)10-14(18)17-9-5-8-16-13-6-7-13/h12-13,16H,5-11H2,1-4H3,(H,17,18)
InChIKeyZSBYXKXHGLIBBC-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.71
Rot. Bonds8

About N-[3-(cyclopropylamino)propyl]-3,5,5-trimethylhexanamide

N-[3-(cyclopropylamino)propyl]-3,5,5-trimethylhexanamide (PubChem CID 43596504) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-3,5,5-trimethylhexanamide
PubChem CID43596504
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[3-(cyclopropylamino)propyl]-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NCCCNC1CC1)CC(C)(C)C
InChIInChI=1S/C15H30N2O/c1-12(11-15(2,3)4)10-14(18)17-9-5-8-16-13-6-7-13/h12-13,16H,5-11H2,1-4H3,(H,17,18)
InChIKeyZSBYXKXHGLIBBC-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyclopropylamino)propyl]-3-methylbutanamide
CID 43596351
N-(4-hydroxybutyl)-3,5,5-trimethylhexanamide
CID 106843836
N-(3-cyanopropyl)-3,5,5-trimethylhexanamide
CID 62666428
N-[2-(cyclopropylamino)ethyl]-3-methylpentanamide
CID 114875591
N-(2-chloroethyl)-3,5,5-trimethylhexanamide
CID 61286860
N-[3-(cyclopropylamino)propyl]-2,2-dimethylpropanamide
CID 43596452
N-(3-azidopropyl)-3,5,5-trimethylhexanamide
CID 61344869
N-(3-aminobutyl)-3,5,5-trimethylhexanamide
CID 63253495
N-[(3-aminocyclobutyl)methyl]-3,5,5-trimethylhexanamide
CID 66006223
N-[3-(cyclopropylamino)propyl]-3-methoxy-3-methylbutanamide
CID 103021358
N-(azetidin-3-yl)-3,5,5-trimethylhexanamide
CID 66186755
N-[3-(cyclopropylamino)propyl]acetamide
CID 43596501

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]-3,5,5-trimethylhexanamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-3,5,5-trimethylhexanamide (CID 43596504) is N-[3-(cyclopropylamino)propyl]-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-3,5,5-trimethylhexanamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-3,5,5-trimethylhexanamide is CC(CC(=O)NCCCNC1CC1)CC(C)(C)C.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-3,5,5-trimethylhexanamide?
The InChIKey is ZSBYXKXHGLIBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(11-15(2,3)4)10-14(18)17-9-5-8-16-13-6-7-13/h12-13,16H,5-11H2,1-4H3,(H,17,18).
What are the key properties of N-[3-(cyclopropylamino)propyl]-3,5,5-trimethylhexanamide?
N-[3-(cyclopropylamino)propyl]-3,5,5-trimethylhexanamide has a molecular weight of 254.42 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-3,5,5-trimethylhexanamide is sourced from PubChem (CID 43596504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).