N-[(Z)-pent-2-en-3-yl]hexan-2-imine

C11H21N — CID 130434986

IUPACN-[(Z)-pent-2-en-3-yl]hexan-2-imine
SMILESC/C=C(CC)\N=C(/C)CCCC
InChIInChI=1S/C11H21N/c1-5-8-9-10(4)12-11(6-2)7-3/h6H,5,7-9H2,1-4H3/b11-6-,12-10+
InChIKeyXYGBHIVLUPOUEM-QVIJUPDLSA-N
MW167.30 g/mol
LogP3.95
Rot. Bonds5

About N-[(Z)-pent-2-en-3-yl]hexan-2-imine

N-[(Z)-pent-2-en-3-yl]hexan-2-imine (PubChem CID 130434986) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-[(Z)-pent-2-en-3-yl]hexan-2-imine.

Molecular Properties

Compound NameN-[(Z)-pent-2-en-3-yl]hexan-2-imine
PubChem CID130434986
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-[(Z)-pent-2-en-3-yl]hexan-2-imine
SMILESC/C=C(CC)\N=C(/C)CCCC
InChIInChI=1S/C11H21N/c1-5-8-9-10(4)12-11(6-2)7-3/h6H,5,7-9H2,1-4H3/b11-6-,12-10+
InChIKeyXYGBHIVLUPOUEM-QVIJUPDLSA-N
XLogP3.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.95
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

5Hlutidine
CID 53805573
N-[(E)-hept-3-en-4-yl]heptan-4-imine
CID 135049490
N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine
CID 168972551
N-[(Z)-4,4-dimethylpent-2-en-2-yl]-3,3-dimethylbutan-2-imine
CID 59179919
5-ethyl-2-ethyl-3H-pyrrole;tungsten
CID 59834186
2-ethyl-5-methyl-3H-pyrrole
CID 59914163
3-methyl-N-[(Z)-4-methylpent-2-en-3-yl]butan-2-imine
CID 88884465
N-[(E)-hept-3-en-3-yl]propan-2-imine
CID 90908636
2,5-dimethyl-3H-pyrrole;ethane
CID 91053925
2-Methyl-6-propan-2-yl-3,4-dihydropyridine
CID 91425980
(E)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine
CID 117923561
N-[(E)-pent-2-en-3-yl]propan-2-imine
CID 123155374

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-pent-2-en-3-yl]hexan-2-imine?
The IUPAC name of N-[(Z)-pent-2-en-3-yl]hexan-2-imine (CID 130434986) is N-[(Z)-pent-2-en-3-yl]hexan-2-imine.
What is the SMILES notation for N-[(Z)-pent-2-en-3-yl]hexan-2-imine?
The canonical SMILES for N-[(Z)-pent-2-en-3-yl]hexan-2-imine is C/C=C(CC)\N=C(/C)CCCC.
What is the InChIKey of N-[(Z)-pent-2-en-3-yl]hexan-2-imine?
The InChIKey is XYGBHIVLUPOUEM-QVIJUPDLSA-N. The full InChI is InChI=1S/C11H21N/c1-5-8-9-10(4)12-11(6-2)7-3/h6H,5,7-9H2,1-4H3/b11-6-,12-10+.
What are the key properties of N-[(Z)-pent-2-en-3-yl]hexan-2-imine?
N-[(Z)-pent-2-en-3-yl]hexan-2-imine has a molecular weight of 167.30 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-pent-2-en-3-yl]hexan-2-imine is sourced from PubChem (CID 130434986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).