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

C15H27N3 — CID 11536119

IUPACN-[5-(1H-imidazol-5-yl)pentyl]cycloheptanamine
SMILESc1ncc(CCCCCNC2CCCCCC2)[nH]1
InChIInChI=1S/C15H27N3/c1-2-5-9-14(8-4-1)17-11-7-3-6-10-15-12-16-13-18-15/h12-14,17H,1-11H2,(H,16,18)
InChIKeyXUIQQBLOOOYXMH-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.43
Rot. Bonds7

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

N-[5-(1H-imidazol-5-yl)pentyl]cycloheptanamine (PubChem CID 11536119) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[5-(1H-imidazol-5-yl)pentyl]cycloheptanamine.

Molecular Properties

Compound NameN-[5-(1H-imidazol-5-yl)pentyl]cycloheptanamine
PubChem CID11536119
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[5-(1H-imidazol-5-yl)pentyl]cycloheptanamine
SMILESc1ncc(CCCCCNC2CCCCCC2)[nH]1
InChIInChI=1S/C15H27N3/c1-2-5-9-14(8-4-1)17-11-7-3-6-10-15-12-16-13-18-15/h12-14,17H,1-11H2,(H,16,18)
InChIKeyXUIQQBLOOOYXMH-UHFFFAOYSA-N
XLogP3.43
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.43
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-[5-(1H-imidazol-5-yl)pentyl]cycloheptanamine?
The IUPAC name of N-[5-(1H-imidazol-5-yl)pentyl]cycloheptanamine (CID 11536119) is N-[5-(1H-imidazol-5-yl)pentyl]cycloheptanamine.
What is the SMILES notation for N-[5-(1H-imidazol-5-yl)pentyl]cycloheptanamine?
The canonical SMILES for N-[5-(1H-imidazol-5-yl)pentyl]cycloheptanamine is c1ncc(CCCCCNC2CCCCCC2)[nH]1.
What is the InChIKey of N-[5-(1H-imidazol-5-yl)pentyl]cycloheptanamine?
The InChIKey is XUIQQBLOOOYXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-2-5-9-14(8-4-1)17-11-7-3-6-10-15-12-16-13-18-15/h12-14,17H,1-11H2,(H,16,18).
What are the key properties of N-[5-(1H-imidazol-5-yl)pentyl]cycloheptanamine?
N-[5-(1H-imidazol-5-yl)pentyl]cycloheptanamine has a molecular weight of 249.40 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-imidazol-5-yl)pentyl]cycloheptanamine is sourced from PubChem (CID 11536119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).