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

C10H21N — CID 142100044

IUPACethane;N-[(Z)-prop-1-enyl]pentan-2-imine
SMILESC/C=C\N=C(/C)CCC.CC
InChIInChI=1S/C8H15N.C2H6/c1-4-6-8(3)9-7-5-2;1-2/h5,7H,4,6H2,1-3H3;1-2H3/b7-5-,9-8+;
InChIKeyBLZRXSMCVYTXCR-PHSQEXLNSA-N
MW155.28 g/mol
LogP3.81
Rot. Bonds3

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

ethane;N-[(Z)-prop-1-enyl]pentan-2-imine (PubChem CID 142100044) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is ethane;N-[(Z)-prop-1-enyl]pentan-2-imine.

Molecular Properties

Compound Nameethane;N-[(Z)-prop-1-enyl]pentan-2-imine
PubChem CID142100044
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Nameethane;N-[(Z)-prop-1-enyl]pentan-2-imine
SMILESC/C=C\N=C(/C)CCC.CC
InChIInChI=1S/C8H15N.C2H6/c1-4-6-8(3)9-7-5-2;1-2/h5,7H,4,6H2,1-3H3;1-2H3/b7-5-,9-8+;
InChIKeyBLZRXSMCVYTXCR-PHSQEXLNSA-N
XLogP3.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 53.81
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

3-fluoro-N-[(Z)-pent-1-enyl]pentan-2-imine
CID 171815544
N-cyclopentylidenebuta-1,3-dien-1-amine
CID 129741083
butan-2-one N-(buta-1,3-dienyl)imine
CID 129873688
propan-2-one N-(buta-1,3-dienyl)imine
CID 129873715
(NE)-N-[4-[(E)-prop-1-enyl]iminohexan-3-ylidene]hydroxylamine
CID 137284471
(NE)-N-[2-[(E)-prop-1-enyl]iminohexan-3-ylidene]hydroxylamine
CID 137284475
N-[(1Z)-buta-1,3-dienyl]-3-fluorobutan-2-imine
CID 142996717
6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine
CID 145149074
N-[(1E)-2-fluorobuta-1,3-dienyl]pentan-2-imine
CID 168972303
N-[(Z)-prop-1-enyl]butan-2-imine
CID 11126202
N-[(Z)-prop-1-enyl]propan-2-imine
CID 54364346
N-isopropylidene-propenylamine
CID 54364347

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-prop-1-enyl]pentan-2-imine?
The IUPAC name of ethane;N-[(Z)-prop-1-enyl]pentan-2-imine (CID 142100044) is ethane;N-[(Z)-prop-1-enyl]pentan-2-imine.
What is the SMILES notation for ethane;N-[(Z)-prop-1-enyl]pentan-2-imine?
The canonical SMILES for ethane;N-[(Z)-prop-1-enyl]pentan-2-imine is C/C=C\N=C(/C)CCC.CC.
What is the InChIKey of ethane;N-[(Z)-prop-1-enyl]pentan-2-imine?
The InChIKey is BLZRXSMCVYTXCR-PHSQEXLNSA-N. The full InChI is InChI=1S/C8H15N.C2H6/c1-4-6-8(3)9-7-5-2;1-2/h5,7H,4,6H2,1-3H3;1-2H3/b7-5-,9-8+;.
What are the key properties of ethane;N-[(Z)-prop-1-enyl]pentan-2-imine?
ethane;N-[(Z)-prop-1-enyl]pentan-2-imine has a molecular weight of 155.28 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-prop-1-enyl]pentan-2-imine is sourced from PubChem (CID 142100044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).