8-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)spiro[4.5]decan-8-amine

C18H36N2O — CID 114818099

IUPAC8-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)spiro[4.5]decan-8-amine
SMILESCCC(C)N(CCOC)C1(CN)CCC2(CCCC2)CC1
InChIInChI=1S/C18H36N2O/c1-4-16(2)20(13-14-21-3)18(15-19)11-9-17(10-12-18)7-5-6-8-17/h16H,4-15,19H2,1-3H3
InChIKeyBAZBSQYQKSAGHO-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.57
Rot. Bonds7

About 8-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)spiro[4.5]decan-8-amine

8-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)spiro[4.5]decan-8-amine (PubChem CID 114818099) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 8-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)spiro[4.5]decan-8-amine.

Molecular Properties

Compound Name8-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)spiro[4.5]decan-8-amine
PubChem CID114818099
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name8-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)spiro[4.5]decan-8-amine
SMILESCCC(C)N(CCOC)C1(CN)CCC2(CCCC2)CC1
InChIInChI=1S/C18H36N2O/c1-4-16(2)20(13-14-21-3)18(15-19)11-9-17(10-12-18)7-5-6-8-17/h16H,4-15,19H2,1-3H3
InChIKeyBAZBSQYQKSAGHO-UHFFFAOYSA-N
XLogP3.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)spiro[4.5]decan-8-amine?
The IUPAC name of 8-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)spiro[4.5]decan-8-amine (CID 114818099) is 8-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)spiro[4.5]decan-8-amine.
What is the SMILES notation for 8-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)spiro[4.5]decan-8-amine?
The canonical SMILES for 8-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)spiro[4.5]decan-8-amine is CCC(C)N(CCOC)C1(CN)CCC2(CCCC2)CC1.
What is the InChIKey of 8-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)spiro[4.5]decan-8-amine?
The InChIKey is BAZBSQYQKSAGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-16(2)20(13-14-21-3)18(15-19)11-9-17(10-12-18)7-5-6-8-17/h16H,4-15,19H2,1-3H3.
What are the key properties of 8-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)spiro[4.5]decan-8-amine?
8-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)spiro[4.5]decan-8-amine has a molecular weight of 296.50 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)spiro[4.5]decan-8-amine is sourced from PubChem (CID 114818099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).