(E,5R)-5-amino-2-methylhex-3-en-3-ol

C7H15NO — CID 163696566

IUPAC(E,5R)-5-amino-2-methylhex-3-en-3-ol
SMILESCC(C)/C(O)=C\[C@@H](C)N
InChIInChI=1S/C7H15NO/c1-5(2)7(9)4-6(3)8/h4-6,9H,8H2,1-3H3/b7-4+/t6-/m1/s1
InChIKeyJXLYQIJMMZUYPB-LTYDNXFVSA-N
MW129.20 g/mol
LogP1.43
Rot. Bonds2

About (E,5R)-5-amino-2-methylhex-3-en-3-ol

(E,5R)-5-amino-2-methylhex-3-en-3-ol (PubChem CID 163696566) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (E,5R)-5-amino-2-methylhex-3-en-3-ol.

Molecular Properties

Compound Name(E,5R)-5-amino-2-methylhex-3-en-3-ol
PubChem CID163696566
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(E,5R)-5-amino-2-methylhex-3-en-3-ol
SMILESCC(C)/C(O)=C\[C@@H](C)N
InChIInChI=1S/C7H15NO/c1-5(2)7(9)4-6(3)8/h4-6,9H,8H2,1-3H3/b7-4+/t6-/m1/s1
InChIKeyJXLYQIJMMZUYPB-LTYDNXFVSA-N
XLogP1.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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CID 59212039
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4-methylhepta-3,5-dien-2-amine
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(3E,5Z)-4-chlorohepta-3,5-dien-2-amine
CID 134365778
(Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one
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2,4,6-trimethylhept-5-en-3-amine
CID 58879101
(2S)-but-3-en-2-amine
CID 10034575
(Z,4S)-4-amino-2-methyl-N-propan-2-ylpent-2-enamide
CID 11586505
ethyl 3-hydroxy-4-methylpent-2-enoate
CID 71406966
4-methylpent-3-en-2-amine;trifluoromethanesulfonamide
CID 87993169
(Z)-3-amino-2-hydroxybut-1-ene-1-diazonium
CID 6913188

Frequently Asked Questions

What is the IUPAC name of (E,5R)-5-amino-2-methylhex-3-en-3-ol?
The IUPAC name of (E,5R)-5-amino-2-methylhex-3-en-3-ol (CID 163696566) is (E,5R)-5-amino-2-methylhex-3-en-3-ol.
What is the SMILES notation for (E,5R)-5-amino-2-methylhex-3-en-3-ol?
The canonical SMILES for (E,5R)-5-amino-2-methylhex-3-en-3-ol is CC(C)/C(O)=C\[C@@H](C)N.
What is the InChIKey of (E,5R)-5-amino-2-methylhex-3-en-3-ol?
The InChIKey is JXLYQIJMMZUYPB-LTYDNXFVSA-N. The full InChI is InChI=1S/C7H15NO/c1-5(2)7(9)4-6(3)8/h4-6,9H,8H2,1-3H3/b7-4+/t6-/m1/s1.
What are the key properties of (E,5R)-5-amino-2-methylhex-3-en-3-ol?
(E,5R)-5-amino-2-methylhex-3-en-3-ol has a molecular weight of 129.20 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-5-amino-2-methylhex-3-en-3-ol is sourced from PubChem (CID 163696566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).