(E)-3-chloro-N-methyl-2-propan-2-ylbut-2-en-1-amine

C8H16ClN — CID 146384668

IUPAC(E)-3-chloro-N-methyl-2-propan-2-ylbut-2-en-1-amine
SMILESCNC/C(=C(\C)Cl)C(C)C
InChIInChI=1S/C8H16ClN/c1-6(2)8(5-10-4)7(3)9/h6,10H,5H2,1-4H3/b8-7-
InChIKeyVEGAJHQNXGETNM-FPLPWBNLSA-N
MW161.68 g/mol
LogP2.37
Rot. Bonds3

About (E)-3-chloro-N-methyl-2-propan-2-ylbut-2-en-1-amine

(E)-3-chloro-N-methyl-2-propan-2-ylbut-2-en-1-amine (PubChem CID 146384668) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is (E)-3-chloro-N-methyl-2-propan-2-ylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-chloro-N-methyl-2-propan-2-ylbut-2-en-1-amine
PubChem CID146384668
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name(E)-3-chloro-N-methyl-2-propan-2-ylbut-2-en-1-amine
SMILESCNC/C(=C(\C)Cl)C(C)C
InChIInChI=1S/C8H16ClN/c1-6(2)8(5-10-4)7(3)9/h6,10H,5H2,1-4H3/b8-7-
InChIKeyVEGAJHQNXGETNM-FPLPWBNLSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N,2,3-trimethylbut-2-en-1-amine
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CID 174036317
CID 174036317
(E,4S)-2,5-dichloro-N,4-dimethylhex-2-en-3-amine
CID 174088047
(2E,4Z)-N,2-dimethyl-5-propan-2-ylhepta-2,4,6-trien-1-amine
CID 143114260
ethane;1-(methylamino)propan-2-one;2-methylpropanal
CID 170710537
(Z)-N,4-dimethyl-2-propan-2-ylhex-2-en-1-amine
CID 166998767
3-methyl-1-(methylamino)butan-2-one;toluene
CID 142538750
N,4-dimethyl-2-methylidenepent-3-en-1-amine
CID 146927478
2-(methylamino)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride
CID 119820253
2,3-dichloro-N-methylbutan-1-amine
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(E)-3-ethyl-4-methylpent-2-en-2-ol
CID 173103704

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-N-methyl-2-propan-2-ylbut-2-en-1-amine?
The IUPAC name of (E)-3-chloro-N-methyl-2-propan-2-ylbut-2-en-1-amine (CID 146384668) is (E)-3-chloro-N-methyl-2-propan-2-ylbut-2-en-1-amine.
What is the SMILES notation for (E)-3-chloro-N-methyl-2-propan-2-ylbut-2-en-1-amine?
The canonical SMILES for (E)-3-chloro-N-methyl-2-propan-2-ylbut-2-en-1-amine is CNC/C(=C(\C)Cl)C(C)C.
What is the InChIKey of (E)-3-chloro-N-methyl-2-propan-2-ylbut-2-en-1-amine?
The InChIKey is VEGAJHQNXGETNM-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H16ClN/c1-6(2)8(5-10-4)7(3)9/h6,10H,5H2,1-4H3/b8-7-.
What are the key properties of (E)-3-chloro-N-methyl-2-propan-2-ylbut-2-en-1-amine?
(E)-3-chloro-N-methyl-2-propan-2-ylbut-2-en-1-amine has a molecular weight of 161.68 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-N-methyl-2-propan-2-ylbut-2-en-1-amine is sourced from PubChem (CID 146384668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).