N-ethyl-2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)but-3-en-1-amine

C16H29NO — CID 102900563

IUPACN-ethyl-2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)but-3-en-1-amine
SMILESC=CC(C)(CNCC)CC1CCC2(CCCC2)O1
InChIInChI=1S/C16H29NO/c1-4-15(3,13-17-5-2)12-14-8-11-16(18-14)9-6-7-10-16/h4,14,17H,1,5-13H2,2-3H3
InChIKeyKFGWRLISYCJSML-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.67
Rot. Bonds6

About N-ethyl-2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)but-3-en-1-amine

N-ethyl-2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)but-3-en-1-amine (PubChem CID 102900563) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)but-3-en-1-amine
PubChem CID102900563
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-ethyl-2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)but-3-en-1-amine
SMILESC=CC(C)(CNCC)CC1CCC2(CCCC2)O1
InChIInChI=1S/C16H29NO/c1-4-15(3,13-17-5-2)12-14-8-11-16(18-14)9-6-7-10-16/h4,14,17H,1,5-13H2,2-3H3
InChIKeyKFGWRLISYCJSML-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)but-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-2-methylbut-3-en-1-amine
CID 102640712
N-ethyl-2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102900369
2-[2-(chloromethyl)-2-methylbut-3-enyl]-1-oxaspiro[4.5]decane
CID 102902372
2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
CID 102896955
2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diol
CID 102902443
2-(3-chloro-2,2-dimethylpropyl)-1-oxaspiro[4.5]decane
CID 102902077
2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102896742
2-N,2-N,2-trimethyl-1-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,2-diamine
CID 102897097
2-ethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-ol
CID 102902006
2-(4-bromo-2,2-dimethylpentyl)-1-oxaspiro[4.4]nonane
CID 102901466
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
N-[3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butyl]cyclopropanamine
CID 102900503

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)but-3-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)but-3-en-1-amine (CID 102900563) is N-ethyl-2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)but-3-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)but-3-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)but-3-en-1-amine is C=CC(C)(CNCC)CC1CCC2(CCCC2)O1.
What is the InChIKey of N-ethyl-2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)but-3-en-1-amine?
The InChIKey is KFGWRLISYCJSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-4-15(3,13-17-5-2)12-14-8-11-16(18-14)9-6-7-10-16/h4,14,17H,1,5-13H2,2-3H3.
What are the key properties of N-ethyl-2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)but-3-en-1-amine?
N-ethyl-2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)but-3-en-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)but-3-en-1-amine is sourced from PubChem (CID 102900563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).