N-[4-(1H-imidazol-5-yl)butyl]cycloheptanamine

C14H25N3 — CID 11506928

IUPACN-[4-(1H-imidazol-5-yl)butyl]cycloheptanamine
SMILESc1ncc(CCCCNC2CCCCCC2)[nH]1
InChIInChI=1S/C14H25N3/c1-2-4-8-13(7-3-1)16-10-6-5-9-14-11-15-12-17-14/h11-13,16H,1-10H2,(H,15,17)
InChIKeyCGIBXEHRRLWSKY-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.04
Rot. Bonds6

About N-[4-(1H-imidazol-5-yl)butyl]cycloheptanamine

N-[4-(1H-imidazol-5-yl)butyl]cycloheptanamine (PubChem CID 11506928) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[4-(1H-imidazol-5-yl)butyl]cycloheptanamine.

Molecular Properties

Compound NameN-[4-(1H-imidazol-5-yl)butyl]cycloheptanamine
PubChem CID11506928
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[4-(1H-imidazol-5-yl)butyl]cycloheptanamine
SMILESc1ncc(CCCCNC2CCCCCC2)[nH]1
InChIInChI=1S/C14H25N3/c1-2-4-8-13(7-3-1)16-10-6-5-9-14-11-15-12-17-14/h11-13,16H,1-10H2,(H,15,17)
InChIKeyCGIBXEHRRLWSKY-UHFFFAOYSA-N
XLogP3.04
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.04
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazol-5-yl)butyl]cycloheptanamine?
The IUPAC name of N-[4-(1H-imidazol-5-yl)butyl]cycloheptanamine (CID 11506928) is N-[4-(1H-imidazol-5-yl)butyl]cycloheptanamine.
What is the SMILES notation for N-[4-(1H-imidazol-5-yl)butyl]cycloheptanamine?
The canonical SMILES for N-[4-(1H-imidazol-5-yl)butyl]cycloheptanamine is c1ncc(CCCCNC2CCCCCC2)[nH]1.
What is the InChIKey of N-[4-(1H-imidazol-5-yl)butyl]cycloheptanamine?
The InChIKey is CGIBXEHRRLWSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-2-4-8-13(7-3-1)16-10-6-5-9-14-11-15-12-17-14/h11-13,16H,1-10H2,(H,15,17).
What are the key properties of N-[4-(1H-imidazol-5-yl)butyl]cycloheptanamine?
N-[4-(1H-imidazol-5-yl)butyl]cycloheptanamine has a molecular weight of 235.37 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-5-yl)butyl]cycloheptanamine is sourced from PubChem (CID 11506928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).