N,4-dimethyl-1-(oxolan-2-yl)pent-4-en-2-amine

C11H21NO — CID 79179355

IUPACN,4-dimethyl-1-(oxolan-2-yl)pent-4-en-2-amine
SMILESC=C(C)CC(CC1CCCO1)NC
InChIInChI=1S/C11H21NO/c1-9(2)7-10(12-3)8-11-5-4-6-13-11/h10-12H,1,4-8H2,2-3H3
InChIKeyBLEFYLPWRQKXBH-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds5

About N,4-dimethyl-1-(oxolan-2-yl)pent-4-en-2-amine

N,4-dimethyl-1-(oxolan-2-yl)pent-4-en-2-amine (PubChem CID 79179355) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N,4-dimethyl-1-(oxolan-2-yl)pent-4-en-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(oxolan-2-yl)pent-4-en-2-amine
PubChem CID79179355
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN,4-dimethyl-1-(oxolan-2-yl)pent-4-en-2-amine
SMILESC=C(C)CC(CC1CCCO1)NC
InChIInChI=1S/C11H21NO/c1-9(2)7-10(12-3)8-11-5-4-6-13-11/h10-12H,1,4-8H2,2-3H3
InChIKeyBLEFYLPWRQKXBH-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(oxolan-2-yl)pent-4-en-2-amine?
The IUPAC name of N,4-dimethyl-1-(oxolan-2-yl)pent-4-en-2-amine (CID 79179355) is N,4-dimethyl-1-(oxolan-2-yl)pent-4-en-2-amine.
What is the SMILES notation for N,4-dimethyl-1-(oxolan-2-yl)pent-4-en-2-amine?
The canonical SMILES for N,4-dimethyl-1-(oxolan-2-yl)pent-4-en-2-amine is C=C(C)CC(CC1CCCO1)NC.
What is the InChIKey of N,4-dimethyl-1-(oxolan-2-yl)pent-4-en-2-amine?
The InChIKey is BLEFYLPWRQKXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)7-10(12-3)8-11-5-4-6-13-11/h10-12H,1,4-8H2,2-3H3.
What are the key properties of N,4-dimethyl-1-(oxolan-2-yl)pent-4-en-2-amine?
N,4-dimethyl-1-(oxolan-2-yl)pent-4-en-2-amine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(oxolan-2-yl)pent-4-en-2-amine is sourced from PubChem (CID 79179355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).