N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)but-3-en-1-amine

C17H31NO — CID 79910364

IUPACN-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)but-3-en-1-amine
SMILESCC(C)CNCCC=CC1CCOC2(CCCC2)C1
InChIInChI=1S/C17H31NO/c1-15(2)14-18-11-6-3-7-16-8-12-19-17(13-16)9-4-5-10-17/h3,7,15-16,18H,4-6,8-14H2,1-2H3
InChIKeyGLZJZWOHDNWJSL-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.92
Rot. Bonds6

About N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)but-3-en-1-amine

N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)but-3-en-1-amine (PubChem CID 79910364) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)but-3-en-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)but-3-en-1-amine
PubChem CID79910364
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)but-3-en-1-amine
SMILESCC(C)CNCCC=CC1CCOC2(CCCC2)C1
InChIInChI=1S/C17H31NO/c1-15(2)14-18-11-6-3-7-16-8-12-19-17(13-16)9-4-5-10-17/h3,7,15-16,18H,4-6,8-14H2,1-2H3
InChIKeyGLZJZWOHDNWJSL-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)but-3-en-1-amine?
The IUPAC name of N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)but-3-en-1-amine (CID 79910364) is N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)but-3-en-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)but-3-en-1-amine?
The canonical SMILES for N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)but-3-en-1-amine is CC(C)CNCCC=CC1CCOC2(CCCC2)C1.
What is the InChIKey of N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)but-3-en-1-amine?
The InChIKey is GLZJZWOHDNWJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-15(2)14-18-11-6-3-7-16-8-12-19-17(13-16)9-4-5-10-17/h3,7,15-16,18H,4-6,8-14H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)but-3-en-1-amine?
N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)but-3-en-1-amine has a molecular weight of 265.44 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)but-3-en-1-amine is sourced from PubChem (CID 79910364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).