N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pent-4-en-2-amine

C14H25NO — CID 102897813

IUPACN-(1-oxaspiro[4.4]nonan-2-ylmethyl)pent-4-en-2-amine
SMILESC=CCC(C)NCC1CCC2(CCCC2)O1
InChIInChI=1S/C14H25NO/c1-3-6-12(2)15-11-13-7-10-14(16-13)8-4-5-9-14/h3,12-13,15H,1,4-11H2,2H3
InChIKeyRIFVASAYFDFZKU-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.03
Rot. Bonds5

About N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pent-4-en-2-amine

N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pent-4-en-2-amine (PubChem CID 102897813) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pent-4-en-2-amine.

Molecular Properties

Compound NameN-(1-oxaspiro[4.4]nonan-2-ylmethyl)pent-4-en-2-amine
PubChem CID102897813
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-(1-oxaspiro[4.4]nonan-2-ylmethyl)pent-4-en-2-amine
SMILESC=CCC(C)NCC1CCC2(CCCC2)O1
InChIInChI=1S/C14H25NO/c1-3-6-12(2)15-11-13-7-10-14(16-13)8-4-5-9-14/h3,12-13,15H,1,4-11H2,2H3
InChIKeyRIFVASAYFDFZKU-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102897316
4-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-2-amine
CID 102896817
1-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine
CID 107859550
1-N,1-N-diethyl-2-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,2-diamine
CID 102897158
(1S)-1-cyclohexyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897605
N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine
CID 166665828
1-bromo-3-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine
CID 107859043
(2S)-N-(cyclopropylmethyl)pent-4-en-2-amine
CID 166665711
1-chloro-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 102900844
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(oxolan-2-yl)ethanamine
CID 102896845
1-chloro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-2-amine
CID 102900785

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pent-4-en-2-amine?
The IUPAC name of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pent-4-en-2-amine (CID 102897813) is N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pent-4-en-2-amine.
What is the SMILES notation for N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pent-4-en-2-amine?
The canonical SMILES for N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pent-4-en-2-amine is C=CCC(C)NCC1CCC2(CCCC2)O1.
What is the InChIKey of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pent-4-en-2-amine?
The InChIKey is RIFVASAYFDFZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-6-12(2)15-11-13-7-10-14(16-13)8-4-5-9-14/h3,12-13,15H,1,4-11H2,2H3.
What are the key properties of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pent-4-en-2-amine?
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pent-4-en-2-amine has a molecular weight of 223.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pent-4-en-2-amine is sourced from PubChem (CID 102897813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).