(E)-1-chloro-N,3,3-trimethylbut-1-en-1-amine

C7H14ClN — CID 147216675

IUPAC(E)-1-chloro-N,3,3-trimethylbut-1-en-1-amine
SMILESCN/C(Cl)=C\C(C)(C)C
InChIInChI=1S/C7H14ClN/c1-7(2,3)5-6(8)9-4/h5,9H,1-4H3/b6-5-
InChIKeyCGGHXQOMWGEHMP-WAYWQWQTSA-N
MW147.65 g/mol
LogP2.33
Rot. Bonds1

About (E)-1-chloro-N,3,3-trimethylbut-1-en-1-amine

(E)-1-chloro-N,3,3-trimethylbut-1-en-1-amine (PubChem CID 147216675) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is (E)-1-chloro-N,3,3-trimethylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-chloro-N,3,3-trimethylbut-1-en-1-amine
PubChem CID147216675
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name(E)-1-chloro-N,3,3-trimethylbut-1-en-1-amine
SMILESCN/C(Cl)=C\C(C)(C)C
InChIInChI=1S/C7H14ClN/c1-7(2,3)5-6(8)9-4/h5,9H,1-4H3/b6-5-
InChIKeyCGGHXQOMWGEHMP-WAYWQWQTSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2,2-dimethylhex-3-ene
CID 71390179
methyl (Z)-2-chloro-4,4-dimethylpent-2-enoate
CID 72723335
1,1-difluoro-3,3-dimethylbut-1-ene
CID 11542776
(Z)-2-isocyano-4,4-dimethylpent-2-ene
CID 88856835
(3E)-2-bromo-4-chloro-4-N-methylbuta-1,3-diene-1,1,4-triamine
CID 153358693
(2E,4E)-5-chloro-2-methyl-5-(methylamino)penta-2,4-dien-1-ol
CID 142076424
(Z)-2,2,3,5,5-pentamethylhex-3-ene
CID 22966710
lithium (E)-1-methoxy-3,3-dimethylbut-1-en-1-olate
CID 23691907
dimethylazanide;tris(2,2,5,5-tetramethylhex-3-en-3-ol);titanium
CID 173349363
(E)-4,6,6-trimethylhept-4-en-2-one
CID 12956011
ethyl (Z)-2-chloro-4,4-dimethylpent-2-enoate
CID 145266780
chloro-[(E)-5,5-dimethylhex-3-en-3-yl]mercury
CID 134981739

Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-N,3,3-trimethylbut-1-en-1-amine?
The IUPAC name of (E)-1-chloro-N,3,3-trimethylbut-1-en-1-amine (CID 147216675) is (E)-1-chloro-N,3,3-trimethylbut-1-en-1-amine.
What is the SMILES notation for (E)-1-chloro-N,3,3-trimethylbut-1-en-1-amine?
The canonical SMILES for (E)-1-chloro-N,3,3-trimethylbut-1-en-1-amine is CN/C(Cl)=C\C(C)(C)C.
What is the InChIKey of (E)-1-chloro-N,3,3-trimethylbut-1-en-1-amine?
The InChIKey is CGGHXQOMWGEHMP-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H14ClN/c1-7(2,3)5-6(8)9-4/h5,9H,1-4H3/b6-5-.
What are the key properties of (E)-1-chloro-N,3,3-trimethylbut-1-en-1-amine?
(E)-1-chloro-N,3,3-trimethylbut-1-en-1-amine has a molecular weight of 147.65 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-N,3,3-trimethylbut-1-en-1-amine is sourced from PubChem (CID 147216675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).