(3S)-2,4-dimethylhexa-4,5-dien-3-amine

C8H15N — CID 55284875

IUPAC(3S)-2,4-dimethylhexa-4,5-dien-3-amine
SMILESC=C=C(C)[C@@H](N)C(C)C
InChIInChI=1S/C8H15N/c1-5-7(4)8(9)6(2)3/h6,8H,1,9H2,2-4H3/t8-/m0/s1
InChIKeyFUJWZBFBXLTYNU-QMMMGPOBSA-N
MW125.21 g/mol
LogP1.70
Rot. Bonds2

About (3S)-2,4-dimethylhexa-4,5-dien-3-amine

(3S)-2,4-dimethylhexa-4,5-dien-3-amine (PubChem CID 55284875) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (3S)-2,4-dimethylhexa-4,5-dien-3-amine.

Molecular Properties

Compound Name(3S)-2,4-dimethylhexa-4,5-dien-3-amine
PubChem CID55284875
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(3S)-2,4-dimethylhexa-4,5-dien-3-amine
SMILESC=C=C(C)[C@@H](N)C(C)C
InChIInChI=1S/C8H15N/c1-5-7(4)8(9)6(2)3/h6,8H,1,9H2,2-4H3/t8-/m0/s1
InChIKeyFUJWZBFBXLTYNU-QMMMGPOBSA-N
XLogP1.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3S)-3,4-dimethylhexa-4,5-dien-2-ol
CID 130874615
5-chloro-3,4-dimethylpenta-1,2-diene
CID 55302448
3,4-dimethylhexa-1,4,5-trien-2-ylcyclopropane
CID 123939025
ethane;propan-2-amine;prop-1-en-2-amine
CID 162282667
2-methylpropane;prop-1-en-2-amine
CID 174893746
(3R)-4-methylhexa-4,5-dien-3-ol
CID 11029792
2,5-dimethylhex-5-en-3-amine
CID 79177176
3-amino-2,7-dimethyloct-7-en-4-one
CID 114477853
(2R)-2-amino-3-methylbutanethioamide
CID 95241232
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene)
CID 158413804
(3R)-but-1-ene-2,3-diamine
CID 142167658

Frequently Asked Questions

What is the IUPAC name of (3S)-2,4-dimethylhexa-4,5-dien-3-amine?
The IUPAC name of (3S)-2,4-dimethylhexa-4,5-dien-3-amine (CID 55284875) is (3S)-2,4-dimethylhexa-4,5-dien-3-amine.
What is the SMILES notation for (3S)-2,4-dimethylhexa-4,5-dien-3-amine?
The canonical SMILES for (3S)-2,4-dimethylhexa-4,5-dien-3-amine is C=C=C(C)[C@@H](N)C(C)C.
What is the InChIKey of (3S)-2,4-dimethylhexa-4,5-dien-3-amine?
The InChIKey is FUJWZBFBXLTYNU-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15N/c1-5-7(4)8(9)6(2)3/h6,8H,1,9H2,2-4H3/t8-/m0/s1.
What are the key properties of (3S)-2,4-dimethylhexa-4,5-dien-3-amine?
(3S)-2,4-dimethylhexa-4,5-dien-3-amine has a molecular weight of 125.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,4-dimethylhexa-4,5-dien-3-amine is sourced from PubChem (CID 55284875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).