N-[3-(2-ethylimidazol-1-yl)propyl]-3-azaspiro[5.5]undecan-9-amine

C18H32N4 — CID 56709927

IUPACN-[3-(2-ethylimidazol-1-yl)propyl]-3-azaspiro[5.5]undecan-9-amine
SMILESCCc1nccn1CCCNC1CCC2(CCNCC2)CC1
InChIInChI=1S/C18H32N4/c1-2-17-21-13-15-22(17)14-3-10-20-16-4-6-18(7-5-16)8-11-19-12-9-18/h13,15-16,19-20H,2-12,14H2,1H3
InChIKeyQKHOSAZDLYDRLO-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.74
Rot. Bonds6

About N-[3-(2-ethylimidazol-1-yl)propyl]-3-azaspiro[5.5]undecan-9-amine

N-[3-(2-ethylimidazol-1-yl)propyl]-3-azaspiro[5.5]undecan-9-amine (PubChem CID 56709927) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is N-[3-(2-ethylimidazol-1-yl)propyl]-3-azaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound NameN-[3-(2-ethylimidazol-1-yl)propyl]-3-azaspiro[5.5]undecan-9-amine
PubChem CID56709927
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC NameN-[3-(2-ethylimidazol-1-yl)propyl]-3-azaspiro[5.5]undecan-9-amine
SMILESCCc1nccn1CCCNC1CCC2(CCNCC2)CC1
InChIInChI=1S/C18H32N4/c1-2-17-21-13-15-22(17)14-3-10-20-16-4-6-18(7-5-16)8-11-19-12-9-18/h13,15-16,19-20H,2-12,14H2,1H3
InChIKeyQKHOSAZDLYDRLO-UHFFFAOYSA-N
XLogP2.74
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[3-(2-ethylimidazol-1-yl)propyl]-3-azaspiro[5.5]undecan-9-amine?
The IUPAC name of N-[3-(2-ethylimidazol-1-yl)propyl]-3-azaspiro[5.5]undecan-9-amine (CID 56709927) is N-[3-(2-ethylimidazol-1-yl)propyl]-3-azaspiro[5.5]undecan-9-amine.
What is the SMILES notation for N-[3-(2-ethylimidazol-1-yl)propyl]-3-azaspiro[5.5]undecan-9-amine?
The canonical SMILES for N-[3-(2-ethylimidazol-1-yl)propyl]-3-azaspiro[5.5]undecan-9-amine is CCc1nccn1CCCNC1CCC2(CCNCC2)CC1.
What is the InChIKey of N-[3-(2-ethylimidazol-1-yl)propyl]-3-azaspiro[5.5]undecan-9-amine?
The InChIKey is QKHOSAZDLYDRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-2-17-21-13-15-22(17)14-3-10-20-16-4-6-18(7-5-16)8-11-19-12-9-18/h13,15-16,19-20H,2-12,14H2,1H3.
What are the key properties of N-[3-(2-ethylimidazol-1-yl)propyl]-3-azaspiro[5.5]undecan-9-amine?
N-[3-(2-ethylimidazol-1-yl)propyl]-3-azaspiro[5.5]undecan-9-amine has a molecular weight of 304.48 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylimidazol-1-yl)propyl]-3-azaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 56709927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).