N,4-dimethyl-1-(oxolan-3-yl)pent-3-en-2-amine

C11H21NO — CID 103986917

IUPACN,4-dimethyl-1-(oxolan-3-yl)pent-3-en-2-amine
SMILESCNC(C=C(C)C)CC1CCOC1
InChIInChI=1S/C11H21NO/c1-9(2)6-11(12-3)7-10-4-5-13-8-10/h6,10-12H,4-5,7-8H2,1-3H3
InChIKeyMHQMKDDIERWYFQ-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds4

About N,4-dimethyl-1-(oxolan-3-yl)pent-3-en-2-amine

N,4-dimethyl-1-(oxolan-3-yl)pent-3-en-2-amine (PubChem CID 103986917) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N,4-dimethyl-1-(oxolan-3-yl)pent-3-en-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(oxolan-3-yl)pent-3-en-2-amine
PubChem CID103986917
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN,4-dimethyl-1-(oxolan-3-yl)pent-3-en-2-amine
SMILESCNC(C=C(C)C)CC1CCOC1
InChIInChI=1S/C11H21NO/c1-9(2)6-11(12-3)7-10-4-5-13-8-10/h6,10-12H,4-5,7-8H2,1-3H3
InChIKeyMHQMKDDIERWYFQ-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
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

4-ethyl-3-(2-methoxyethyl)-N-methylhex-4-en-1-amine
CID 89972891
4-(Oxolan-3-yl)-1,2,3,6-tetrahydropyridin-3-amine
CID 163511528
(2S)-6-methyl-N-[3-[(3R)-oxolan-3-yl]propyl]hept-5-en-2-amine
CID 29259175
(2R)-6-methyl-N-[3-[(3R)-oxolan-3-yl]propyl]hept-5-en-2-amine
CID 29259177
(2S)-6-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]hept-5-en-2-amine
CID 29259179
(2R)-6-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]hept-5-en-2-amine
CID 29259181
(1,5-Dimethyl-4-hexen-1-yl)[3-(tetrahydro-3-furanyl)propyl]amine
CID 45930841
N-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine
CID 62077835
N-[cyclopenten-1-yl(oxolan-3-yl)methyl]ethanamine
CID 62077856
N-[cyclohexen-1-yl(oxolan-3-yl)methyl]ethanamine
CID 62078856
N-[cyclopenten-1-yl(oxolan-3-yl)methyl]propan-1-amine
CID 62079074
1-(cyclohepten-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62079085

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(oxolan-3-yl)pent-3-en-2-amine?
The IUPAC name of N,4-dimethyl-1-(oxolan-3-yl)pent-3-en-2-amine (CID 103986917) is N,4-dimethyl-1-(oxolan-3-yl)pent-3-en-2-amine.
What is the SMILES notation for N,4-dimethyl-1-(oxolan-3-yl)pent-3-en-2-amine?
The canonical SMILES for N,4-dimethyl-1-(oxolan-3-yl)pent-3-en-2-amine is CNC(C=C(C)C)CC1CCOC1.
What is the InChIKey of N,4-dimethyl-1-(oxolan-3-yl)pent-3-en-2-amine?
The InChIKey is MHQMKDDIERWYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)6-11(12-3)7-10-4-5-13-8-10/h6,10-12H,4-5,7-8H2,1-3H3.
What are the key properties of N,4-dimethyl-1-(oxolan-3-yl)pent-3-en-2-amine?
N,4-dimethyl-1-(oxolan-3-yl)pent-3-en-2-amine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 4 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-3-yl)pent-3-en-2-amine is sourced from PubChem (CID 103986917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).