(4R)-4-amino-2,5-dimethylhept-2-en-3-ol

C9H19NO — CID 156573978

IUPAC(4R)-4-amino-2,5-dimethylhept-2-en-3-ol
SMILESCCC(C)[C@@H](N)C(O)=C(C)C
InChIInChI=1S/C9H19NO/c1-5-7(4)8(10)9(11)6(2)3/h7-8,11H,5,10H2,1-4H3/t7?,8-/m1/s1
InChIKeySPHBKPDKFPGOEX-BRFYHDHCSA-N
MW157.26 g/mol
LogP2.21
Rot. Bonds3

About (4R)-4-amino-2,5-dimethylhept-2-en-3-ol

(4R)-4-amino-2,5-dimethylhept-2-en-3-ol (PubChem CID 156573978) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (4R)-4-amino-2,5-dimethylhept-2-en-3-ol.

Molecular Properties

Compound Name(4R)-4-amino-2,5-dimethylhept-2-en-3-ol
PubChem CID156573978
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(4R)-4-amino-2,5-dimethylhept-2-en-3-ol
SMILESCCC(C)[C@@H](N)C(O)=C(C)C
InChIInChI=1S/C9H19NO/c1-5-7(4)8(10)9(11)6(2)3/h7-8,11H,5,10H2,1-4H3/t7?,8-/m1/s1
InChIKeySPHBKPDKFPGOEX-BRFYHDHCSA-N
XLogP2.21
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.21
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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Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-2,5-dimethylhept-2-en-3-ol?
The IUPAC name of (4R)-4-amino-2,5-dimethylhept-2-en-3-ol (CID 156573978) is (4R)-4-amino-2,5-dimethylhept-2-en-3-ol.
What is the SMILES notation for (4R)-4-amino-2,5-dimethylhept-2-en-3-ol?
The canonical SMILES for (4R)-4-amino-2,5-dimethylhept-2-en-3-ol is CCC(C)[C@@H](N)C(O)=C(C)C.
What is the InChIKey of (4R)-4-amino-2,5-dimethylhept-2-en-3-ol?
The InChIKey is SPHBKPDKFPGOEX-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-7(4)8(10)9(11)6(2)3/h7-8,11H,5,10H2,1-4H3/t7?,8-/m1/s1.
What are the key properties of (4R)-4-amino-2,5-dimethylhept-2-en-3-ol?
(4R)-4-amino-2,5-dimethylhept-2-en-3-ol has a molecular weight of 157.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-2,5-dimethylhept-2-en-3-ol is sourced from PubChem (CID 156573978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).