(E,2R)-3-methylhex-3-en-2-amine

C7H15N — CID 146859099

IUPAC(E,2R)-3-methylhex-3-en-2-amine
SMILESCC/C=C(\C)[C@@H](C)N
InChIInChI=1S/C7H15N/c1-4-5-6(2)7(3)8/h5,7H,4,8H2,1-3H3/b6-5+/t7-/m1/s1
InChIKeySKERAKLIBNCSEP-WEWAHIQMSA-N
MW113.20 g/mol
LogP1.69
Rot. Bonds2

About (E,2R)-3-methylhex-3-en-2-amine

(E,2R)-3-methylhex-3-en-2-amine (PubChem CID 146859099) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is (E,2R)-3-methylhex-3-en-2-amine.

Molecular Properties

Compound Name(E,2R)-3-methylhex-3-en-2-amine
PubChem CID146859099
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name(E,2R)-3-methylhex-3-en-2-amine
SMILESCC/C=C(\C)[C@@H](C)N
InChIInChI=1S/C7H15N/c1-4-5-6(2)7(3)8/h5,7H,4,8H2,1-3H3/b6-5+/t7-/m1/s1
InChIKeySKERAKLIBNCSEP-WEWAHIQMSA-N
XLogP1.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methylhept-3-en-2-amine
CID 130574470
(E)-3-methylhept-3-en-2-amine
CID 163910373
(Z,2R)-4,5-dimethyl-3-[(Z)-pent-2-en-2-yl]oxyhex-3-en-2-amine
CID 155349088
(Z)-4,5-dimethylhept-3-ene
CID 142511472
(Z)-2-propan-2-yloxypent-2-ene
CID 145137792
(E,2R)-2,3-dimethylhex-3-enal
CID 88870284
N-[(E)-3-methylhex-3-en-2-yl]methanimine
CID 143536776
3,7-dimethyldeca-3,6,9-trien-2-amine
CID 123138602
(E)-N-ethyl-N,3-dimethylhex-3-en-2-amine
CID 163431483
1-fluoro-4-methylhex-3-ene-2,5-diamine
CID 54068661
4,5,6,8-tetramethyldec-3-ene
CID 123219035
(2Z,5E)-5-methylocta-2,5-dien-4-ol
CID 172570769

Frequently Asked Questions

What is the IUPAC name of (E,2R)-3-methylhex-3-en-2-amine?
The IUPAC name of (E,2R)-3-methylhex-3-en-2-amine (CID 146859099) is (E,2R)-3-methylhex-3-en-2-amine.
What is the SMILES notation for (E,2R)-3-methylhex-3-en-2-amine?
The canonical SMILES for (E,2R)-3-methylhex-3-en-2-amine is CC/C=C(\C)[C@@H](C)N.
What is the InChIKey of (E,2R)-3-methylhex-3-en-2-amine?
The InChIKey is SKERAKLIBNCSEP-WEWAHIQMSA-N. The full InChI is InChI=1S/C7H15N/c1-4-5-6(2)7(3)8/h5,7H,4,8H2,1-3H3/b6-5+/t7-/m1/s1.
What are the key properties of (E,2R)-3-methylhex-3-en-2-amine?
(E,2R)-3-methylhex-3-en-2-amine has a molecular weight of 113.20 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-3-methylhex-3-en-2-amine is sourced from PubChem (CID 146859099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).