(E)-5-chloro-2,2-dimethylpent-4-en-1-amine

C7H14ClN — CID 130514629

IUPAC(E)-5-chloro-2,2-dimethylpent-4-en-1-amine
SMILESCC(C)(CN)C/C=C/Cl
InChIInChI=1S/C7H14ClN/c1-7(2,6-9)4-3-5-8/h3,5H,4,6,9H2,1-2H3/b5-3+
InChIKeyHAKQVOXMPBLXAL-HWKANZROSA-N
MW147.65 g/mol
LogP2.11
Rot. Bonds3

About (E)-5-chloro-2,2-dimethylpent-4-en-1-amine

(E)-5-chloro-2,2-dimethylpent-4-en-1-amine (PubChem CID 130514629) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is (E)-5-chloro-2,2-dimethylpent-4-en-1-amine.

Molecular Properties

Compound Name(E)-5-chloro-2,2-dimethylpent-4-en-1-amine
PubChem CID130514629
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name(E)-5-chloro-2,2-dimethylpent-4-en-1-amine
SMILESCC(C)(CN)C/C=C/Cl
InChIInChI=1S/C7H14ClN/c1-7(2,6-9)4-3-5-8/h3,5H,4,6,9H2,1-2H3/b5-3+
InChIKeyHAKQVOXMPBLXAL-HWKANZROSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-1-chloro-4,4-dimethylpent-1-ene
CID 147984913
4-amino-3,3-dimethylbutanal
CID 18683027
(E)-2,2,8,8-tetramethylnon-4-en-6-yn-1-amine
CID 130019239
2,2-dimethylpropane-1,3-diamine
CID 162099967
chloromethane;5,5,7,7-tetramethyloct-2-en-1-amine
CID 174821902
N'-(3-chloro-2-methylprop-2-enyl)-N',2,2-trimethylpropane-1,3-diamine
CID 106439495
(E)-2,2-dimethylhept-5-en-1-amine
CID 55289620
2,2-dimethylpropane-1,1-diamine;2,2-dimethylpropane-1,3-diamine
CID 87393297
2,2,4-trimethylpentane-1,4-diamine
CID 87112848
(Z)-2,2,7,7-tetramethyloct-4-ene-1,8-diol
CID 102143435
3-hydrazinyl-2,2-dimethylpropan-1-amine
CID 163833344
ethane;2-fluoro-2-methylpropan-1-amine
CID 166112006

Frequently Asked Questions

What is the IUPAC name of (E)-5-chloro-2,2-dimethylpent-4-en-1-amine?
The IUPAC name of (E)-5-chloro-2,2-dimethylpent-4-en-1-amine (CID 130514629) is (E)-5-chloro-2,2-dimethylpent-4-en-1-amine.
What is the SMILES notation for (E)-5-chloro-2,2-dimethylpent-4-en-1-amine?
The canonical SMILES for (E)-5-chloro-2,2-dimethylpent-4-en-1-amine is CC(C)(CN)C/C=C/Cl.
What is the InChIKey of (E)-5-chloro-2,2-dimethylpent-4-en-1-amine?
The InChIKey is HAKQVOXMPBLXAL-HWKANZROSA-N. The full InChI is InChI=1S/C7H14ClN/c1-7(2,6-9)4-3-5-8/h3,5H,4,6,9H2,1-2H3/b5-3+.
What are the key properties of (E)-5-chloro-2,2-dimethylpent-4-en-1-amine?
(E)-5-chloro-2,2-dimethylpent-4-en-1-amine has a molecular weight of 147.65 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-chloro-2,2-dimethylpent-4-en-1-amine is sourced from PubChem (CID 130514629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).