(3R)-3-amino-5-methylhex-5-en-1-ol

C7H15NO — CID 170584879

IUPAC(3R)-3-amino-5-methylhex-5-en-1-ol
SMILESC=C(C)C[C@@H](N)CCO
InChIInChI=1S/C7H15NO/c1-6(2)5-7(8)3-4-9/h7,9H,1,3-5,8H2,2H3/t7-/m0/s1
InChIKeyKNPONPIIJPYUIU-ZETCQYMHSA-N
MW129.20 g/mol
LogP0.66
Rot. Bonds4

About (3R)-3-amino-5-methylhex-5-en-1-ol

(3R)-3-amino-5-methylhex-5-en-1-ol (PubChem CID 170584879) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (3R)-3-amino-5-methylhex-5-en-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-5-methylhex-5-en-1-ol
PubChem CID170584879
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(3R)-3-amino-5-methylhex-5-en-1-ol
SMILESC=C(C)C[C@@H](N)CCO
InChIInChI=1S/C7H15NO/c1-6(2)5-7(8)3-4-9/h7,9H,1,3-5,8H2,2H3/t7-/m0/s1
InChIKeyKNPONPIIJPYUIU-ZETCQYMHSA-N
XLogP0.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4-methylpent-4-en-1-ol
CID 55253753
6-Octen-1-ol, 3-amino-7-methyl-, (3S)-
CID 10986507
2-Amino-4-methylidenehexan-1-ol
CID 55253962
3-Amino-4-methylpent-4-en-1-ol
CID 55283893
(S)-2-Amino-4-methyl-4-penten-1-ol
CID 55289993
3-Amino-7-methyloct-6-en-1-ol
CID 85356853
1-Amino-4-methylpent-4-en-1-ol
CID 87112346
7-Amino-5-methylideneoctan-1-ol
CID 89122258
(E)-3-amino-2-methylhex-1-ene-1,6-diol
CID 89153782
6-Amino-4-methylidenehexan-1-ol
CID 117268172
(2R)-2-amino-3-methylidenepentan-1-ol
CID 117906863
(2R)-2-amino-4-methylpent-4-en-1-ol
CID 129366802

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-5-methylhex-5-en-1-ol?
The IUPAC name of (3R)-3-amino-5-methylhex-5-en-1-ol (CID 170584879) is (3R)-3-amino-5-methylhex-5-en-1-ol.
What is the SMILES notation for (3R)-3-amino-5-methylhex-5-en-1-ol?
The canonical SMILES for (3R)-3-amino-5-methylhex-5-en-1-ol is C=C(C)C[C@@H](N)CCO.
What is the InChIKey of (3R)-3-amino-5-methylhex-5-en-1-ol?
The InChIKey is KNPONPIIJPYUIU-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(2)5-7(8)3-4-9/h7,9H,1,3-5,8H2,2H3/t7-/m0/s1.
What are the key properties of (3R)-3-amino-5-methylhex-5-en-1-ol?
(3R)-3-amino-5-methylhex-5-en-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-5-methylhex-5-en-1-ol is sourced from PubChem (CID 170584879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).