ethane;3-methyl-N-[(Z)-prop-1-enyl]pentan-2-imine

C11H23N — CID 142062856

IUPACethane;3-methyl-N-[(Z)-prop-1-enyl]pentan-2-imine
SMILESC/C=C\N=C(/C)C(C)CC.CC
InChIInChI=1S/C9H17N.C2H6/c1-5-7-10-9(4)8(3)6-2;1-2/h5,7-8H,6H2,1-4H3;1-2H3/b7-5-,10-9+;
InChIKeyUGXCBMNWIZYHGU-DKRMGRSYSA-N
MW169.31 g/mol
LogP4.05
Rot. Bonds3

About ethane;3-methyl-N-[(Z)-prop-1-enyl]pentan-2-imine

ethane;3-methyl-N-[(Z)-prop-1-enyl]pentan-2-imine (PubChem CID 142062856) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is ethane;3-methyl-N-[(Z)-prop-1-enyl]pentan-2-imine.

Molecular Properties

Compound Nameethane;3-methyl-N-[(Z)-prop-1-enyl]pentan-2-imine
PubChem CID142062856
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Nameethane;3-methyl-N-[(Z)-prop-1-enyl]pentan-2-imine
SMILESC/C=C\N=C(/C)C(C)CC.CC
InChIInChI=1S/C9H17N.C2H6/c1-5-7-10-9(4)8(3)6-2;1-2/h5,7-8H,6H2,1-4H3;1-2H3/b7-5-,10-9+;
InChIKeyUGXCBMNWIZYHGU-DKRMGRSYSA-N
XLogP4.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1E)-2-fluorobuta-1,3-dienyl]-3-methylpentan-2-imine
CID 123854276
2,3-Dimethyl-3,4-dihydropyridine
CID 68241732
3-ethyl-2-methyl-3H-pyrrole
CID 89217538
3-methyl-N-[(Z)-prop-1-enyl]butan-2-imine
CID 89688931
N-[(E)-4-methylpent-1-enyl]butan-2-imine
CID 90063487
(3S)-N-[(Z)-3-iminoprop-1-enyl]-3-methylpentan-2-imine
CID 118687324
N-ethyl-3-methylhex-5-en-2-imine
CID 123547564
3-Ethylpentan-2-ylidene-methyl-prop-1-enylazanium
CID 123811659
N-[(Z)-3-methylbut-1-enyl]butan-2-imine
CID 123859208
3,3-dimethyl-N-[(Z)-prop-1-enyl]butan-2-imine
CID 126487293
2-methyl-N-[(Z)-prop-1-enyl]hexan-3-imine
CID 126516666
N-[(1Z)-buta-1,3-dienyl]-4-methylpentan-2-imine
CID 129029808

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-N-[(Z)-prop-1-enyl]pentan-2-imine?
The IUPAC name of ethane;3-methyl-N-[(Z)-prop-1-enyl]pentan-2-imine (CID 142062856) is ethane;3-methyl-N-[(Z)-prop-1-enyl]pentan-2-imine.
What is the SMILES notation for ethane;3-methyl-N-[(Z)-prop-1-enyl]pentan-2-imine?
The canonical SMILES for ethane;3-methyl-N-[(Z)-prop-1-enyl]pentan-2-imine is C/C=C\N=C(/C)C(C)CC.CC.
What is the InChIKey of ethane;3-methyl-N-[(Z)-prop-1-enyl]pentan-2-imine?
The InChIKey is UGXCBMNWIZYHGU-DKRMGRSYSA-N. The full InChI is InChI=1S/C9H17N.C2H6/c1-5-7-10-9(4)8(3)6-2;1-2/h5,7-8H,6H2,1-4H3;1-2H3/b7-5-,10-9+;.
What are the key properties of ethane;3-methyl-N-[(Z)-prop-1-enyl]pentan-2-imine?
ethane;3-methyl-N-[(Z)-prop-1-enyl]pentan-2-imine has a molecular weight of 169.31 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-N-[(Z)-prop-1-enyl]pentan-2-imine is sourced from PubChem (CID 142062856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).