(3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol

C9H19NO — CID 146552954

IUPAC(3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol
SMILESC=C(C)[C@@H](CC)[C@H](O)CCN
InChIInChI=1S/C9H19NO/c1-4-8(7(2)3)9(11)5-6-10/h8-9,11H,2,4-6,10H2,1,3H3/t8-,9-/m1/s1
InChIKeyCNMLBBUZHVAJON-RKDXNWHRSA-N
MW157.26 g/mol
LogP1.30
Rot. Bonds5

About (3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol

(3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol (PubChem CID 146552954) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol
PubChem CID146552954
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol
SMILESC=C(C)[C@@H](CC)[C@H](O)CCN
InChIInChI=1S/C9H19NO/c1-4-8(7(2)3)9(11)5-6-10/h8-9,11H,2,4-6,10H2,1,3H3/t8-,9-/m1/s1
InChIKeyCNMLBBUZHVAJON-RKDXNWHRSA-N
XLogP1.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol?
The IUPAC name of (3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol (CID 146552954) is (3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol.
What is the SMILES notation for (3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol?
The canonical SMILES for (3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol is C=C(C)[C@@H](CC)[C@H](O)CCN.
What is the InChIKey of (3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol?
The InChIKey is CNMLBBUZHVAJON-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-8(7(2)3)9(11)5-6-10/h8-9,11H,2,4-6,10H2,1,3H3/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol?
(3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol is sourced from PubChem (CID 146552954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).