8-(aminomethyl)-N-methyl-N-phenylspiro[4.5]decan-8-amine

C18H28N2 — CID 114818000

IUPAC8-(aminomethyl)-N-methyl-N-phenylspiro[4.5]decan-8-amine
SMILESCN(c1ccccc1)C1(CN)CCC2(CCCC2)CC1
InChIInChI=1S/C18H28N2/c1-20(16-7-3-2-4-8-16)18(15-19)13-11-17(12-14-18)9-5-6-10-17/h2-4,7-8H,5-6,9-15,19H2,1H3
InChIKeyBEOOUWKFFLFWRW-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.95
Rot. Bonds3

About 8-(aminomethyl)-N-methyl-N-phenylspiro[4.5]decan-8-amine

8-(aminomethyl)-N-methyl-N-phenylspiro[4.5]decan-8-amine (PubChem CID 114818000) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 8-(aminomethyl)-N-methyl-N-phenylspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name8-(aminomethyl)-N-methyl-N-phenylspiro[4.5]decan-8-amine
PubChem CID114818000
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name8-(aminomethyl)-N-methyl-N-phenylspiro[4.5]decan-8-amine
SMILESCN(c1ccccc1)C1(CN)CCC2(CCCC2)CC1
InChIInChI=1S/C18H28N2/c1-20(16-7-3-2-4-8-16)18(15-19)13-11-17(12-14-18)9-5-6-10-17/h2-4,7-8H,5-6,9-15,19H2,1H3
InChIKeyBEOOUWKFFLFWRW-UHFFFAOYSA-N
XLogP3.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-N-methyl-N-phenylspiro[4.5]decan-8-amine?
The IUPAC name of 8-(aminomethyl)-N-methyl-N-phenylspiro[4.5]decan-8-amine (CID 114818000) is 8-(aminomethyl)-N-methyl-N-phenylspiro[4.5]decan-8-amine.
What is the SMILES notation for 8-(aminomethyl)-N-methyl-N-phenylspiro[4.5]decan-8-amine?
The canonical SMILES for 8-(aminomethyl)-N-methyl-N-phenylspiro[4.5]decan-8-amine is CN(c1ccccc1)C1(CN)CCC2(CCCC2)CC1.
What is the InChIKey of 8-(aminomethyl)-N-methyl-N-phenylspiro[4.5]decan-8-amine?
The InChIKey is BEOOUWKFFLFWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-20(16-7-3-2-4-8-16)18(15-19)13-11-17(12-14-18)9-5-6-10-17/h2-4,7-8H,5-6,9-15,19H2,1H3.
What are the key properties of 8-(aminomethyl)-N-methyl-N-phenylspiro[4.5]decan-8-amine?
8-(aminomethyl)-N-methyl-N-phenylspiro[4.5]decan-8-amine has a molecular weight of 272.44 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-N-methyl-N-phenylspiro[4.5]decan-8-amine is sourced from PubChem (CID 114818000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).