N-[[4-(aminomethyl)phenyl]methyl]-3-azaspiro[5.5]undecan-9-amine

C18H29N3 — CID 56721681

IUPACN-[[4-(aminomethyl)phenyl]methyl]-3-azaspiro[5.5]undecan-9-amine
SMILESNCc1ccc(CNC2CCC3(CCNCC3)CC2)cc1
InChIInChI=1S/C18H29N3/c19-13-15-1-3-16(4-2-15)14-21-17-5-7-18(8-6-17)9-11-20-12-10-18/h1-4,17,20-21H,5-14,19H2
InChIKeyFDWXBCSUMIWKCD-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.55
Rot. Bonds4

About N-[[4-(aminomethyl)phenyl]methyl]-3-azaspiro[5.5]undecan-9-amine

N-[[4-(aminomethyl)phenyl]methyl]-3-azaspiro[5.5]undecan-9-amine (PubChem CID 56721681) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-3-azaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-3-azaspiro[5.5]undecan-9-amine
PubChem CID56721681
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-3-azaspiro[5.5]undecan-9-amine
SMILESNCc1ccc(CNC2CCC3(CCNCC3)CC2)cc1
InChIInChI=1S/C18H29N3/c19-13-15-1-3-16(4-2-15)14-21-17-5-7-18(8-6-17)9-11-20-12-10-18/h1-4,17,20-21H,5-14,19H2
InChIKeyFDWXBCSUMIWKCD-UHFFFAOYSA-N
XLogP2.55
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-3-azaspiro[5.5]undecan-9-amine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-3-azaspiro[5.5]undecan-9-amine (CID 56721681) is N-[[4-(aminomethyl)phenyl]methyl]-3-azaspiro[5.5]undecan-9-amine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-3-azaspiro[5.5]undecan-9-amine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-3-azaspiro[5.5]undecan-9-amine is NCc1ccc(CNC2CCC3(CCNCC3)CC2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-3-azaspiro[5.5]undecan-9-amine?
The InChIKey is FDWXBCSUMIWKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c19-13-15-1-3-16(4-2-15)14-21-17-5-7-18(8-6-17)9-11-20-12-10-18/h1-4,17,20-21H,5-14,19H2.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-3-azaspiro[5.5]undecan-9-amine?
N-[[4-(aminomethyl)phenyl]methyl]-3-azaspiro[5.5]undecan-9-amine has a molecular weight of 287.45 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-3-azaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 56721681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).