N,2-dimethyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine

C12H23NO — CID 102640600

IUPACN,2-dimethyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine
SMILESC=CC(C)(CCC1CCCO1)CNC
InChIInChI=1S/C12H23NO/c1-4-12(2,10-13-3)8-7-11-6-5-9-14-11/h4,11,13H,1,5-10H2,2-3H3
InChIKeyQUNBJTSSPPHYDU-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds6

About N,2-dimethyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine

N,2-dimethyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine (PubChem CID 102640600) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N,2-dimethyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine
PubChem CID102640600
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN,2-dimethyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine
SMILESC=CC(C)(CCC1CCCO1)CNC
InChIInChI=1S/C12H23NO/c1-4-12(2,10-13-3)8-7-11-6-5-9-14-11/h4,11,13H,1,5-10H2,2-3H3
InChIKeyQUNBJTSSPPHYDU-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.36
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-dimethyl-2-[2-(oxolan-2-yl)ethyl]pentan-1-amine
CID 65165039
2-ethyl-N,2-dimethyl-4-(oxolan-2-yl)butan-1-amine
CID 65165207
2-ethyl-N-methyl-2-[2-(oxolan-2-yl)ethyl]hexan-1-amine
CID 65165369
2,2-diethyl-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65165653
N,2,2-trimethyl-4-(oxolan-2-yl)butan-1-amine
CID 65166449
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-(oxolan-2-ylmethyl)but-3-en-1-amine
CID 102640552

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine?
The IUPAC name of N,2-dimethyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine (CID 102640600) is N,2-dimethyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine.
What is the SMILES notation for N,2-dimethyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine?
The canonical SMILES for N,2-dimethyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine is C=CC(C)(CCC1CCCO1)CNC.
What is the InChIKey of N,2-dimethyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine?
The InChIKey is QUNBJTSSPPHYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-12(2,10-13-3)8-7-11-6-5-9-14-11/h4,11,13H,1,5-10H2,2-3H3.
What are the key properties of N,2-dimethyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine?
N,2-dimethyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine is sourced from PubChem (CID 102640600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).