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

C18H32N4 — CID 56719712

IUPACN-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine
SMILESCN(CCCc1nccn1C)C1CCC2(CCNCC2)CC1
InChIInChI=1S/C18H32N4/c1-21(14-3-4-17-20-13-15-22(17)2)16-5-7-18(8-6-16)9-11-19-12-10-18/h13,15-16,19H,3-12,14H2,1-2H3
InChIKeyXUSHUTRRLDIIQN-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.60
Rot. Bonds5

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

N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine (PubChem CID 56719712) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound NameN-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine
PubChem CID56719712
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC NameN-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine
SMILESCN(CCCc1nccn1C)C1CCC2(CCNCC2)CC1
InChIInChI=1S/C18H32N4/c1-21(14-3-4-17-20-13-15-22(17)2)16-5-7-18(8-6-16)9-11-19-12-10-18/h13,15-16,19H,3-12,14H2,1-2H3
InChIKeyXUSHUTRRLDIIQN-UHFFFAOYSA-N
XLogP2.60
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine?
The IUPAC name of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine (CID 56719712) is N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine.
What is the SMILES notation for N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine?
The canonical SMILES for N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine is CN(CCCc1nccn1C)C1CCC2(CCNCC2)CC1.
What is the InChIKey of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine?
The InChIKey is XUSHUTRRLDIIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-21(14-3-4-17-20-13-15-22(17)2)16-5-7-18(8-6-16)9-11-19-12-10-18/h13,15-16,19H,3-12,14H2,1-2H3.
What are the key properties of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine?
N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine has a molecular weight of 304.48 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-3-azaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 56719712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).