(3R)-3-(6-methylhept-5-en-2-ylamino)butan-1-ol

C12H25NO — CID 103871771

IUPAC(3R)-3-(6-methylhept-5-en-2-ylamino)butan-1-ol
SMILESCC(C)=CCCC(C)N[C@H](C)CCO
InChIInChI=1S/C12H25NO/c1-10(2)6-5-7-11(3)13-12(4)8-9-14/h6,11-14H,5,7-9H2,1-4H3/t11?,12-/m1/s1
InChIKeyIDJCOLQHPUAXAB-PIJUOVFKSA-N
MW199.34 g/mol
LogP2.48
Rot. Bonds7

About (3R)-3-(6-methylhept-5-en-2-ylamino)butan-1-ol

(3R)-3-(6-methylhept-5-en-2-ylamino)butan-1-ol (PubChem CID 103871771) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (3R)-3-(6-methylhept-5-en-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name(3R)-3-(6-methylhept-5-en-2-ylamino)butan-1-ol
PubChem CID103871771
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(3R)-3-(6-methylhept-5-en-2-ylamino)butan-1-ol
SMILESCC(C)=CCCC(C)N[C@H](C)CCO
InChIInChI=1S/C12H25NO/c1-10(2)6-5-7-11(3)13-12(4)8-9-14/h6,11-14H,5,7-9H2,1-4H3/t11?,12-/m1/s1
InChIKeyIDJCOLQHPUAXAB-PIJUOVFKSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.48
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)-3-(6-methylhept-5-en-2-ylamino)butan-1-ol?
The IUPAC name of (3R)-3-(6-methylhept-5-en-2-ylamino)butan-1-ol (CID 103871771) is (3R)-3-(6-methylhept-5-en-2-ylamino)butan-1-ol.
What is the SMILES notation for (3R)-3-(6-methylhept-5-en-2-ylamino)butan-1-ol?
The canonical SMILES for (3R)-3-(6-methylhept-5-en-2-ylamino)butan-1-ol is CC(C)=CCCC(C)N[C@H](C)CCO.
What is the InChIKey of (3R)-3-(6-methylhept-5-en-2-ylamino)butan-1-ol?
The InChIKey is IDJCOLQHPUAXAB-PIJUOVFKSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)6-5-7-11(3)13-12(4)8-9-14/h6,11-14H,5,7-9H2,1-4H3/t11?,12-/m1/s1.
What are the key properties of (3R)-3-(6-methylhept-5-en-2-ylamino)butan-1-ol?
(3R)-3-(6-methylhept-5-en-2-ylamino)butan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(6-methylhept-5-en-2-ylamino)butan-1-ol is sourced from PubChem (CID 103871771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).