N-ethyl-4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine

C12H23NO — CID 103987177

IUPACN-ethyl-4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine
SMILESCCNC(C=C(C)C)CC1CCOC1
InChIInChI=1S/C12H23NO/c1-4-13-12(7-10(2)3)8-11-5-6-14-9-11/h7,11-13H,4-6,8-9H2,1-3H3
InChIKeyKGKFTCFASUKGHI-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds5

About N-ethyl-4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine

N-ethyl-4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine (PubChem CID 103987177) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine
PubChem CID103987177
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-ethyl-4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine
SMILESCCNC(C=C(C)C)CC1CCOC1
InChIInChI=1S/C12H23NO/c1-4-13-12(7-10(2)3)8-11-5-6-14-9-11/h7,11-13H,4-6,8-9H2,1-3H3
InChIKeyKGKFTCFASUKGHI-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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
2-(Oxolan-3-yl)-1,2,3,6-tetrahydropyridine
CID 173551440
(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
N-(cyclohex-3-en-1-ylmethyl)-1-(oxolan-2-yl)ethanamine
CID 43208618
(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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine?
The IUPAC name of N-ethyl-4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine (CID 103987177) is N-ethyl-4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine?
The canonical SMILES for N-ethyl-4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine is CCNC(C=C(C)C)CC1CCOC1.
What is the InChIKey of N-ethyl-4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine?
The InChIKey is KGKFTCFASUKGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-13-12(7-10(2)3)8-11-5-6-14-9-11/h7,11-13H,4-6,8-9H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine?
N-ethyl-4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-(oxolan-3-yl)pent-3-en-2-amine is sourced from PubChem (CID 103987177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).