but-1-ene;ethane;2-[3-ethenyl-1-methyl-2-(methylideneamino)cyclopent-2-en-1-yl]-N-methylethanamine

C18H34N2 — CID 143423159

IUPACbut-1-ene;ethane;2-[3-ethenyl-1-methyl-2-(methylideneamino)cyclopent-2-en-1-yl]-N-methylethanamine
SMILESC=CC1=C(N=C)C(C)(CCNC)CC1.C=CCC.CC
InChIInChI=1S/C12H20N2.C4H8.C2H6/c1-5-10-6-7-12(2,8-9-13-3)11(10)14-4;1-3-4-2;1-2/h5,13H,1,4,6-9H2,2-3H3;3H,1,4H2,2H3;1-2H3
InChIKeyYKXNQOIUCPLMCD-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.15
Rot. Bonds6

About but-1-ene;ethane;2-[3-ethenyl-1-methyl-2-(methylideneamino)cyclopent-2-en-1-yl]-N-methylethanamine

but-1-ene;ethane;2-[3-ethenyl-1-methyl-2-(methylideneamino)cyclopent-2-en-1-yl]-N-methylethanamine (PubChem CID 143423159) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is but-1-ene;ethane;2-[3-ethenyl-1-methyl-2-(methylideneamino)cyclopent-2-en-1-yl]-N-methylethanamine.

Molecular Properties

Compound Namebut-1-ene;ethane;2-[3-ethenyl-1-methyl-2-(methylideneamino)cyclopent-2-en-1-yl]-N-methylethanamine
PubChem CID143423159
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Namebut-1-ene;ethane;2-[3-ethenyl-1-methyl-2-(methylideneamino)cyclopent-2-en-1-yl]-N-methylethanamine
SMILESC=CC1=C(N=C)C(C)(CCNC)CC1.C=CCC.CC
InChIInChI=1S/C12H20N2.C4H8.C2H6/c1-5-10-6-7-12(2,8-9-13-3)11(10)14-4;1-3-4-2;1-2/h5,13H,1,4,6-9H2,2-3H3;3H,1,4H2,2H3;1-2H3
InChIKeyYKXNQOIUCPLMCD-UHFFFAOYSA-N
XLogP5.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-(2,4-dimethylpentyl)-5,5-dimethyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydroazepine
CID 71119992
6-[(Z)-4,6-dimethylhept-1-enyl]-5,5,7-trimethyl-1,2,3,4-tetrahydroazepine
CID 71119998
5,5,7-trimethyl-6-[(1Z,3E)-4-methylhepta-1,3-dienyl]-1,2,3,4-tetrahydroazepine
CID 89298597
(E,7E)-5-ethyl-7-[4-(5-ethyl-5-propyloct-1-en-2-yl)-1,3-dihydropyrrol-2-ylidene]-N-methylhept-5-en-1-amine
CID 129236304
(5Z,7Z)-3-[(E)-hex-2-en-3-yl]-3,7-dimethyl-8-[(Z,2R)-2-methylpent-3-enyl]-2,4-dihydro-1H-azocine
CID 132125533
N-ethenyl-4-(2-ethenyl-2-methylpentyl)-6-methylidene-1H-pyridin-3-amine
CID 132131652
N-methyl-1-[1-[(4Z)-2-methylhepta-2,4-dien-3-yl]cyclopentyl]ethenamine
CID 134397494
(3E)-N-methyl-5-[2-[3-methyl-3-(methylaminomethyl)-6-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl]ethyl]nona-3,8-dien-4-amine
CID 134546945
N-propan-2-yl-1-[1-[2-(propan-2-ylamino)propyl]cyclopenta-2,4-dien-1-yl]propan-2-amine
CID 140101430
N-[1-[1-[2-(butylamino)propyl]cyclopenta-2,4-dien-1-yl]propan-2-yl]butan-1-amine
CID 140101469
2-methyl-N-[1-[1-[2-(2-methylpropylamino)propyl]cyclopenta-2,4-dien-1-yl]propan-2-yl]propan-1-amine
CID 140101474
N-methyl-1-[1-[2-(methylamino)propyl]cyclopenta-2,4-dien-1-yl]propan-2-amine
CID 140101507

Frequently Asked Questions

What is the IUPAC name of but-1-ene;ethane;2-[3-ethenyl-1-methyl-2-(methylideneamino)cyclopent-2-en-1-yl]-N-methylethanamine?
The IUPAC name of but-1-ene;ethane;2-[3-ethenyl-1-methyl-2-(methylideneamino)cyclopent-2-en-1-yl]-N-methylethanamine (CID 143423159) is but-1-ene;ethane;2-[3-ethenyl-1-methyl-2-(methylideneamino)cyclopent-2-en-1-yl]-N-methylethanamine.
What is the SMILES notation for but-1-ene;ethane;2-[3-ethenyl-1-methyl-2-(methylideneamino)cyclopent-2-en-1-yl]-N-methylethanamine?
The canonical SMILES for but-1-ene;ethane;2-[3-ethenyl-1-methyl-2-(methylideneamino)cyclopent-2-en-1-yl]-N-methylethanamine is C=CC1=C(N=C)C(C)(CCNC)CC1.C=CCC.CC.
What is the InChIKey of but-1-ene;ethane;2-[3-ethenyl-1-methyl-2-(methylideneamino)cyclopent-2-en-1-yl]-N-methylethanamine?
The InChIKey is YKXNQOIUCPLMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2.C4H8.C2H6/c1-5-10-6-7-12(2,8-9-13-3)11(10)14-4;1-3-4-2;1-2/h5,13H,1,4,6-9H2,2-3H3;3H,1,4H2,2H3;1-2H3.
What are the key properties of but-1-ene;ethane;2-[3-ethenyl-1-methyl-2-(methylideneamino)cyclopent-2-en-1-yl]-N-methylethanamine?
but-1-ene;ethane;2-[3-ethenyl-1-methyl-2-(methylideneamino)cyclopent-2-en-1-yl]-N-methylethanamine has a molecular weight of 278.48 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;ethane;2-[3-ethenyl-1-methyl-2-(methylideneamino)cyclopent-2-en-1-yl]-N-methylethanamine is sourced from PubChem (CID 143423159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).