N,2-dimethyl-2-(oxolan-2-ylmethyl)but-3-en-1-amine

C11H21NO — CID 102640552

IUPACN,2-dimethyl-2-(oxolan-2-ylmethyl)but-3-en-1-amine
SMILESC=CC(C)(CNC)CC1CCCO1
InChIInChI=1S/C11H21NO/c1-4-11(2,9-12-3)8-10-6-5-7-13-10/h4,10,12H,1,5-9H2,2-3H3
InChIKeyYPCKPHCXBVGAFX-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.97
Rot. Bonds5

About N,2-dimethyl-2-(oxolan-2-ylmethyl)but-3-en-1-amine

N,2-dimethyl-2-(oxolan-2-ylmethyl)but-3-en-1-amine (PubChem CID 102640552) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is N,2-dimethyl-2-(oxolan-2-ylmethyl)but-3-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-(oxolan-2-ylmethyl)but-3-en-1-amine
PubChem CID102640552
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC NameN,2-dimethyl-2-(oxolan-2-ylmethyl)but-3-en-1-amine
SMILESC=CC(C)(CNC)CC1CCCO1
InChIInChI=1S/C11H21NO/c1-4-11(2,9-12-3)8-10-6-5-7-13-10/h4,10,12H,1,5-9H2,2-3H3
InChIKeyYPCKPHCXBVGAFX-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.97
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

N,2,2-trimethyl-3-(oxolan-2-yl)propan-1-amine
CID 62724528
N,2,2-trimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine
CID 94565928
N,2,2-trimethyl-3-[(2R)-oxolan-2-yl]propan-1-amine
CID 94565929
2-Ethenyl-2-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 102640360
2-[(5,5-Dimethyloxolan-2-yl)methyl]-2-methylbut-3-en-1-amine
CID 102640364
2-Methyl-2-(oxolan-2-ylmethyl)but-3-en-1-amine
CID 102640373
2-Methyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine
CID 102640424
2-ethenyl-N,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine
CID 102640538
2-[(5,5-dimethyloxolan-2-yl)methyl]-N,2-dimethylbut-3-en-1-amine
CID 102640543
N,2-dimethyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine
CID 102640600
2-ethenyl-N-ethyl-2-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 102640707
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-2-methylbut-3-en-1-amine
CID 102640712

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-(oxolan-2-ylmethyl)but-3-en-1-amine?
The IUPAC name of N,2-dimethyl-2-(oxolan-2-ylmethyl)but-3-en-1-amine (CID 102640552) is N,2-dimethyl-2-(oxolan-2-ylmethyl)but-3-en-1-amine.
What is the SMILES notation for N,2-dimethyl-2-(oxolan-2-ylmethyl)but-3-en-1-amine?
The canonical SMILES for N,2-dimethyl-2-(oxolan-2-ylmethyl)but-3-en-1-amine is C=CC(C)(CNC)CC1CCCO1.
What is the InChIKey of N,2-dimethyl-2-(oxolan-2-ylmethyl)but-3-en-1-amine?
The InChIKey is YPCKPHCXBVGAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-11(2,9-12-3)8-10-6-5-7-13-10/h4,10,12H,1,5-9H2,2-3H3.
What are the key properties of N,2-dimethyl-2-(oxolan-2-ylmethyl)but-3-en-1-amine?
N,2-dimethyl-2-(oxolan-2-ylmethyl)but-3-en-1-amine has a molecular weight of 183.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-(oxolan-2-ylmethyl)but-3-en-1-amine is sourced from PubChem (CID 102640552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).