(Z)-N-[(Z)-1-chloro-2-methylbut-1-enyl]-2-methylbutan-1-imine

C10H18ClN — CID 142056728

IUPAC(Z)-N-[(Z)-1-chloro-2-methylbut-1-enyl]-2-methylbutan-1-imine
SMILESCC/C(C)=C(Cl)/N=C\C(C)CC
InChIInChI=1S/C10H18ClN/c1-5-8(3)7-12-10(11)9(4)6-2/h7-8H,5-6H2,1-4H3/b10-9+,12-7-
InChIKeySMBWCRAHAXJZNC-AJXFBRFDSA-N
MW187.71 g/mol
LogP3.98
Rot. Bonds4

About (Z)-N-[(Z)-1-chloro-2-methylbut-1-enyl]-2-methylbutan-1-imine

(Z)-N-[(Z)-1-chloro-2-methylbut-1-enyl]-2-methylbutan-1-imine (PubChem CID 142056728) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is (Z)-N-[(Z)-1-chloro-2-methylbut-1-enyl]-2-methylbutan-1-imine.

Molecular Properties

Compound Name(Z)-N-[(Z)-1-chloro-2-methylbut-1-enyl]-2-methylbutan-1-imine
PubChem CID142056728
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC Name(Z)-N-[(Z)-1-chloro-2-methylbut-1-enyl]-2-methylbutan-1-imine
SMILESCC/C(C)=C(Cl)/N=C\C(C)CC
InChIInChI=1S/C10H18ClN/c1-5-8(3)7-12-10(11)9(4)6-2/h7-8H,5-6H2,1-4H3/b10-9+,12-7-
InChIKeySMBWCRAHAXJZNC-AJXFBRFDSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N-(2-methylbutylidene)ethanimidamide
CID 142099133
(NZ)-N-[(2S)-2-methylbutylidene]hydroxylamine
CID 71448984
(E,5S)-3,5-dimethylhept-3-ene
CID 25021557
ethane;2-methyl-N-[(E)-3-(1-propan-2-ylcyclopropyl)but-2-en-2-yl]butan-1-imine
CID 176962867
(E)-2-amino-4-(2-methylbutylideneamino)hex-3-enoic acid
CID 91443581
4-methyl-3-N-(2-methylbutylidene)-2-N-[(E)-pent-1-enyl]pent-3-ene-2,3-diimine
CID 126599381
N-[(E)-4-methylhex-2-en-2-yl]ethanimine
CID 90864591
(4R)-2,4-dimethylhex-2-ene
CID 142611901
2-methyl-N-[N'-methyl-N-[(E)-3-(2-methylbutylideneamino)-4-oxobut-2-en-2-yl]carbamimidoyl]propanamide
CID 142610548
(2E,4E)-3-chloro-5-methylhepta-2,4-dien-4-amine
CID 145473645
(3Z)-2-chloro-5-methylhepta-1,3-diene
CID 87430188
3,6-dimethyloct-4-ene
CID 73165576

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-1-chloro-2-methylbut-1-enyl]-2-methylbutan-1-imine?
The IUPAC name of (Z)-N-[(Z)-1-chloro-2-methylbut-1-enyl]-2-methylbutan-1-imine (CID 142056728) is (Z)-N-[(Z)-1-chloro-2-methylbut-1-enyl]-2-methylbutan-1-imine.
What is the SMILES notation for (Z)-N-[(Z)-1-chloro-2-methylbut-1-enyl]-2-methylbutan-1-imine?
The canonical SMILES for (Z)-N-[(Z)-1-chloro-2-methylbut-1-enyl]-2-methylbutan-1-imine is CC/C(C)=C(Cl)/N=C\C(C)CC.
What is the InChIKey of (Z)-N-[(Z)-1-chloro-2-methylbut-1-enyl]-2-methylbutan-1-imine?
The InChIKey is SMBWCRAHAXJZNC-AJXFBRFDSA-N. The full InChI is InChI=1S/C10H18ClN/c1-5-8(3)7-12-10(11)9(4)6-2/h7-8H,5-6H2,1-4H3/b10-9+,12-7-.
What are the key properties of (Z)-N-[(Z)-1-chloro-2-methylbut-1-enyl]-2-methylbutan-1-imine?
(Z)-N-[(Z)-1-chloro-2-methylbut-1-enyl]-2-methylbutan-1-imine has a molecular weight of 187.71 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-1-chloro-2-methylbut-1-enyl]-2-methylbutan-1-imine is sourced from PubChem (CID 142056728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).