N,2-dimethyl-1-(oxolan-3-yl)prop-2-en-1-amine

C9H17NO — CID 79177294

IUPACN,2-dimethyl-1-(oxolan-3-yl)prop-2-en-1-amine
SMILESC=C(C)C(NC)C1CCOC1
InChIInChI=1S/C9H17NO/c1-7(2)9(10-3)8-4-5-11-6-8/h8-10H,1,4-6H2,2-3H3
InChIKeyLZZSXPNZATZAFG-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.19
Rot. Bonds3

About N,2-dimethyl-1-(oxolan-3-yl)prop-2-en-1-amine

N,2-dimethyl-1-(oxolan-3-yl)prop-2-en-1-amine (PubChem CID 79177294) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N,2-dimethyl-1-(oxolan-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(oxolan-3-yl)prop-2-en-1-amine
PubChem CID79177294
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN,2-dimethyl-1-(oxolan-3-yl)prop-2-en-1-amine
SMILESC=C(C)C(NC)C1CCOC1
InChIInChI=1S/C9H17NO/c1-7(2)9(10-3)8-4-5-11-6-8/h8-10H,1,4-6H2,2-3H3
InChIKeyLZZSXPNZATZAFG-UHFFFAOYSA-N
XLogP1.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.19
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-(cyclohepten-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62079085
1-(cyclopenten-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62079407
1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62080510
1-(oxolan-3-yl)-N-propylpent-4-en-1-amine
CID 65329655
N-methyl-1-(oxolan-3-yl)hex-5-en-1-amine
CID 65330081
N-methyl-1-(oxolan-3-yl)pent-4-en-1-amine
CID 65330303
N-ethyl-1-(oxolan-3-yl)pent-4-en-1-amine
CID 65330364
N-methyl-1-(oxolan-3-yl)but-3-en-1-amine
CID 65330466
N-ethyl-1-(oxolan-3-yl)but-3-en-1-amine
CID 65330525
1-(oxolan-3-yl)-N-propylbut-3-en-1-amine
CID 65330642
N-methyl-1-(oxan-4-yl)but-3-en-1-amine
CID 65334438
N-methyl-1-(oxolan-3-yl)prop-2-en-1-amine
CID 65589400

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(oxolan-3-yl)prop-2-en-1-amine?
The IUPAC name of N,2-dimethyl-1-(oxolan-3-yl)prop-2-en-1-amine (CID 79177294) is N,2-dimethyl-1-(oxolan-3-yl)prop-2-en-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(oxolan-3-yl)prop-2-en-1-amine?
The canonical SMILES for N,2-dimethyl-1-(oxolan-3-yl)prop-2-en-1-amine is C=C(C)C(NC)C1CCOC1.
What is the InChIKey of N,2-dimethyl-1-(oxolan-3-yl)prop-2-en-1-amine?
The InChIKey is LZZSXPNZATZAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)9(10-3)8-4-5-11-6-8/h8-10H,1,4-6H2,2-3H3.
What are the key properties of N,2-dimethyl-1-(oxolan-3-yl)prop-2-en-1-amine?
N,2-dimethyl-1-(oxolan-3-yl)prop-2-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(oxolan-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 79177294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).