(Z)-N-butan-2-yl-4-chloro-3-methylpent-2-en-1-imine

C10H18ClN — CID 142087730

IUPAC(Z)-N-butan-2-yl-4-chloro-3-methylpent-2-en-1-imine
SMILESCCC(C)/N=C/C=C(/C)C(C)Cl
InChIInChI=1S/C10H18ClN/c1-5-9(3)12-7-6-8(2)10(4)11/h6-7,9-10H,5H2,1-4H3/b8-6-,12-7+
InChIKeyCXHCSCOQYLNKFL-LQNKLOEDSA-N
MW187.71 g/mol
LogP3.43
Rot. Bonds4

About (Z)-N-butan-2-yl-4-chloro-3-methylpent-2-en-1-imine

(Z)-N-butan-2-yl-4-chloro-3-methylpent-2-en-1-imine (PubChem CID 142087730) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is (Z)-N-butan-2-yl-4-chloro-3-methylpent-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-butan-2-yl-4-chloro-3-methylpent-2-en-1-imine
PubChem CID142087730
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC Name(Z)-N-butan-2-yl-4-chloro-3-methylpent-2-en-1-imine
SMILESCCC(C)/N=C/C=C(/C)C(C)Cl
InChIInChI=1S/C10H18ClN/c1-5-9(3)12-7-6-8(2)10(4)11/h6-7,9-10H,5H2,1-4H3/b8-6-,12-7+
InChIKeyCXHCSCOQYLNKFL-LQNKLOEDSA-N
XLogP3.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-butan-2-yl]iminoethanethial
CID 162975785
2-methylbutane;bis(2-methylbut-2-ene)
CID 162288148
(Z)-N-[(2R)-butan-2-yl]-2-methylbut-2-en-1-imine
CID 89321973
4-chloro-3-methylpent-2-ene
CID 85440898
N'-butan-2-ylmethanimidamide
CID 13225428
N-butan-2-ylpropan-1-imine;ethane
CID 143076356
(2E,4E)-N-butan-2-yl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine
CID 11777882
N'-butan-2-yl-N,N-dimethylmethanimidamide
CID 6432752
N-butan-2-ylpropan-2-imine
CID 118347004
[(2S,3S)-2-chloropentan-3-yl] formate
CID 130737322
N-butan-2-yl-3-ethylhex-3-en-2-imine
CID 123227032
cyclopentane;cyclopentene;2-methylbutane;2-methylbut-2-ene
CID 157067229

Frequently Asked Questions

What is the IUPAC name of (Z)-N-butan-2-yl-4-chloro-3-methylpent-2-en-1-imine?
The IUPAC name of (Z)-N-butan-2-yl-4-chloro-3-methylpent-2-en-1-imine (CID 142087730) is (Z)-N-butan-2-yl-4-chloro-3-methylpent-2-en-1-imine.
What is the SMILES notation for (Z)-N-butan-2-yl-4-chloro-3-methylpent-2-en-1-imine?
The canonical SMILES for (Z)-N-butan-2-yl-4-chloro-3-methylpent-2-en-1-imine is CCC(C)/N=C/C=C(/C)C(C)Cl.
What is the InChIKey of (Z)-N-butan-2-yl-4-chloro-3-methylpent-2-en-1-imine?
The InChIKey is CXHCSCOQYLNKFL-LQNKLOEDSA-N. The full InChI is InChI=1S/C10H18ClN/c1-5-9(3)12-7-6-8(2)10(4)11/h6-7,9-10H,5H2,1-4H3/b8-6-,12-7+.
What are the key properties of (Z)-N-butan-2-yl-4-chloro-3-methylpent-2-en-1-imine?
(Z)-N-butan-2-yl-4-chloro-3-methylpent-2-en-1-imine has a molecular weight of 187.71 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butan-2-yl-4-chloro-3-methylpent-2-en-1-imine is sourced from PubChem (CID 142087730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).