(Z)-2,2-dimethyl-N-[(Z)-prop-1-enyl]pent-3-en-1-imine;ethane

C12H23N — CID 142187153

IUPAC(Z)-2,2-dimethyl-N-[(Z)-prop-1-enyl]pent-3-en-1-imine;ethane
SMILESC/C=C\N=C\C(C)(C)/C=C\C.CC
InChIInChI=1S/C10H17N.C2H6/c1-5-7-10(3,4)9-11-8-6-2;1-2/h5-9H,1-4H3;1-2H3/b7-5-,8-6-,11-9+;
InChIKeyCUFILHAKCUXYJB-FUOSITBXSA-N
MW181.32 g/mol
LogP4.22
Rot. Bonds3

About (Z)-2,2-dimethyl-N-[(Z)-prop-1-enyl]pent-3-en-1-imine;ethane

(Z)-2,2-dimethyl-N-[(Z)-prop-1-enyl]pent-3-en-1-imine;ethane (PubChem CID 142187153) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (Z)-2,2-dimethyl-N-[(Z)-prop-1-enyl]pent-3-en-1-imine;ethane.

Molecular Properties

Compound Name(Z)-2,2-dimethyl-N-[(Z)-prop-1-enyl]pent-3-en-1-imine;ethane
PubChem CID142187153
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(Z)-2,2-dimethyl-N-[(Z)-prop-1-enyl]pent-3-en-1-imine;ethane
SMILESC/C=C\N=C\C(C)(C)/C=C\C.CC
InChIInChI=1S/C10H17N.C2H6/c1-5-7-10(3,4)9-11-8-6-2;1-2/h5-9H,1-4H3;1-2H3/b7-5-,8-6-,11-9+;
InChIKeyCUFILHAKCUXYJB-FUOSITBXSA-N
XLogP4.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

N-[(1E,4Z)-6-fluorohexa-1,4-dienyl]pentan-1-imine
CID 143003949
(E)-N-ethenyl-3-fluorohex-3-en-1-imine
CID 143495541
5-Fluoro-3,3-dimethylazepine
CID 143657985
3-Methyl-3-(1-propenyl)pyrrole
CID 129786932
(Z)-N-ethenyl-2-(2-fluoropropan-2-yl)-2-methylpent-3-en-1-imine
CID 142605613
2-methyl-N-[(E)-3-methylbut-1-enyl]propan-1-imine
CID 22086823
N-hexa-1,3-dienylhex-3-en-1-imine
CID 56629480
N-hepta-1,3,5-trienylnona-3,5,7-trien-1-imine
CID 58422540
N-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine
CID 59179900
N-[(Z)-3,3-dimethylbut-1-enyl]-2,2-dimethylpropan-1-imine
CID 59734363
N-[(Z)-3,3-dimethylbut-1-enyl]-2-methylpropan-1-imine
CID 59848843
2,2-dimethyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine
CID 59848846

Frequently Asked Questions

What is the IUPAC name of (Z)-2,2-dimethyl-N-[(Z)-prop-1-enyl]pent-3-en-1-imine;ethane?
The IUPAC name of (Z)-2,2-dimethyl-N-[(Z)-prop-1-enyl]pent-3-en-1-imine;ethane (CID 142187153) is (Z)-2,2-dimethyl-N-[(Z)-prop-1-enyl]pent-3-en-1-imine;ethane.
What is the SMILES notation for (Z)-2,2-dimethyl-N-[(Z)-prop-1-enyl]pent-3-en-1-imine;ethane?
The canonical SMILES for (Z)-2,2-dimethyl-N-[(Z)-prop-1-enyl]pent-3-en-1-imine;ethane is C/C=C\N=C\C(C)(C)/C=C\C.CC.
What is the InChIKey of (Z)-2,2-dimethyl-N-[(Z)-prop-1-enyl]pent-3-en-1-imine;ethane?
The InChIKey is CUFILHAKCUXYJB-FUOSITBXSA-N. The full InChI is InChI=1S/C10H17N.C2H6/c1-5-7-10(3,4)9-11-8-6-2;1-2/h5-9H,1-4H3;1-2H3/b7-5-,8-6-,11-9+;.
What are the key properties of (Z)-2,2-dimethyl-N-[(Z)-prop-1-enyl]pent-3-en-1-imine;ethane?
(Z)-2,2-dimethyl-N-[(Z)-prop-1-enyl]pent-3-en-1-imine;ethane has a molecular weight of 181.32 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2-dimethyl-N-[(Z)-prop-1-enyl]pent-3-en-1-imine;ethane is sourced from PubChem (CID 142187153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).