(5R)-5-hexan-3-yloxy-4-methylheptan-1-amine

C14H31NO — CID 89116531

IUPAC(5R)-5-hexan-3-yloxy-4-methylheptan-1-amine
SMILESCCCC(CC)O[C@H](CC)C(C)CCCN
InChIInChI=1S/C14H31NO/c1-5-9-13(6-2)16-14(7-3)12(4)10-8-11-15/h12-14H,5-11,15H2,1-4H3/t12?,13?,14-/m1/s1
InChIKeyKSGBFZJPZSGBAN-JXQTWKCFSA-N
MW229.41 g/mol
LogP3.74
Rot. Bonds10

About (5R)-5-hexan-3-yloxy-4-methylheptan-1-amine

(5R)-5-hexan-3-yloxy-4-methylheptan-1-amine (PubChem CID 89116531) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is (5R)-5-hexan-3-yloxy-4-methylheptan-1-amine.

Molecular Properties

Compound Name(5R)-5-hexan-3-yloxy-4-methylheptan-1-amine
PubChem CID89116531
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name(5R)-5-hexan-3-yloxy-4-methylheptan-1-amine
SMILESCCCC(CC)O[C@H](CC)C(C)CCCN
InChIInChI=1S/C14H31NO/c1-5-9-13(6-2)16-14(7-3)12(4)10-8-11-15/h12-14H,5-11,15H2,1-4H3/t12?,13?,14-/m1/s1
InChIKeyKSGBFZJPZSGBAN-JXQTWKCFSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-hexan-3-yloxy-4-methylheptan-1-amine?
The IUPAC name of (5R)-5-hexan-3-yloxy-4-methylheptan-1-amine (CID 89116531) is (5R)-5-hexan-3-yloxy-4-methylheptan-1-amine.
What is the SMILES notation for (5R)-5-hexan-3-yloxy-4-methylheptan-1-amine?
The canonical SMILES for (5R)-5-hexan-3-yloxy-4-methylheptan-1-amine is CCCC(CC)O[C@H](CC)C(C)CCCN.
What is the InChIKey of (5R)-5-hexan-3-yloxy-4-methylheptan-1-amine?
The InChIKey is KSGBFZJPZSGBAN-JXQTWKCFSA-N. The full InChI is InChI=1S/C14H31NO/c1-5-9-13(6-2)16-14(7-3)12(4)10-8-11-15/h12-14H,5-11,15H2,1-4H3/t12?,13?,14-/m1/s1.
What are the key properties of (5R)-5-hexan-3-yloxy-4-methylheptan-1-amine?
(5R)-5-hexan-3-yloxy-4-methylheptan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hexan-3-yloxy-4-methylheptan-1-amine is sourced from PubChem (CID 89116531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).