N-(1H-imidazol-2-ylmethyl)-N-methyl-3-azaspiro[5.5]undecan-9-amine

C15H26N4 — CID 56875541

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-3-azaspiro[5.5]undecan-9-amine
SMILESCN(Cc1ncc[nH]1)C1CCC2(CCNCC2)CC1
InChIInChI=1S/C15H26N4/c1-19(12-14-17-10-11-18-14)13-2-4-15(5-3-13)6-8-16-9-7-15/h10-11,13,16H,2-9,12H2,1H3,(H,17,18)
InChIKeyRYHBWZZHUSWPHF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.15
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-N-methyl-3-azaspiro[5.5]undecan-9-amine

N-(1H-imidazol-2-ylmethyl)-N-methyl-3-azaspiro[5.5]undecan-9-amine (PubChem CID 56875541) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-3-azaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-3-azaspiro[5.5]undecan-9-amine
PubChem CID56875541
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-3-azaspiro[5.5]undecan-9-amine
SMILESCN(Cc1ncc[nH]1)C1CCC2(CCNCC2)CC1
InChIInChI=1S/C15H26N4/c1-19(12-14-17-10-11-18-14)13-2-4-15(5-3-13)6-8-16-9-7-15/h10-11,13,16H,2-9,12H2,1H3,(H,17,18)
InChIKeyRYHBWZZHUSWPHF-UHFFFAOYSA-N
XLogP2.15
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-azaspiro[5.5]undecan-9-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-azaspiro[5.5]undecan-9-amine (CID 56875541) is N-(1H-imidazol-2-ylmethyl)-N-methyl-3-azaspiro[5.5]undecan-9-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-azaspiro[5.5]undecan-9-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-azaspiro[5.5]undecan-9-amine is CN(Cc1ncc[nH]1)C1CCC2(CCNCC2)CC1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-azaspiro[5.5]undecan-9-amine?
The InChIKey is RYHBWZZHUSWPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-19(12-14-17-10-11-18-14)13-2-4-15(5-3-13)6-8-16-9-7-15/h10-11,13,16H,2-9,12H2,1H3,(H,17,18).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-3-azaspiro[5.5]undecan-9-amine?
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-azaspiro[5.5]undecan-9-amine has a molecular weight of 262.40 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-3-azaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 56875541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).