(4R)-4-methyl-4-[2-(propylamino)propoxy]hexan-2-amine

C13H30N2O — CID 156509563

IUPAC(4R)-4-methyl-4-[2-(propylamino)propoxy]hexan-2-amine
SMILESCCCNC(C)CO[C@](C)(CC)CC(C)N
InChIInChI=1S/C13H30N2O/c1-6-8-15-12(4)10-16-13(5,7-2)9-11(3)14/h11-12,15H,6-10,14H2,1-5H3/t11?,12?,13-/m1/s1
InChIKeyNXAMZSLTHRCAGE-WXRRBKDZSA-N
MW230.40 g/mol
LogP2.30
Rot. Bonds9

About (4R)-4-methyl-4-[2-(propylamino)propoxy]hexan-2-amine

(4R)-4-methyl-4-[2-(propylamino)propoxy]hexan-2-amine (PubChem CID 156509563) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is (4R)-4-methyl-4-[2-(propylamino)propoxy]hexan-2-amine.

Molecular Properties

Compound Name(4R)-4-methyl-4-[2-(propylamino)propoxy]hexan-2-amine
PubChem CID156509563
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name(4R)-4-methyl-4-[2-(propylamino)propoxy]hexan-2-amine
SMILESCCCNC(C)CO[C@](C)(CC)CC(C)N
InChIInChI=1S/C13H30N2O/c1-6-8-15-12(4)10-16-13(5,7-2)9-11(3)14/h11-12,15H,6-10,14H2,1-5H3/t11?,12?,13-/m1/s1
InChIKeyNXAMZSLTHRCAGE-WXRRBKDZSA-N
XLogP2.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-4-[2-(propylamino)propoxy]hexan-2-amine?
The IUPAC name of (4R)-4-methyl-4-[2-(propylamino)propoxy]hexan-2-amine (CID 156509563) is (4R)-4-methyl-4-[2-(propylamino)propoxy]hexan-2-amine.
What is the SMILES notation for (4R)-4-methyl-4-[2-(propylamino)propoxy]hexan-2-amine?
The canonical SMILES for (4R)-4-methyl-4-[2-(propylamino)propoxy]hexan-2-amine is CCCNC(C)CO[C@](C)(CC)CC(C)N.
What is the InChIKey of (4R)-4-methyl-4-[2-(propylamino)propoxy]hexan-2-amine?
The InChIKey is NXAMZSLTHRCAGE-WXRRBKDZSA-N. The full InChI is InChI=1S/C13H30N2O/c1-6-8-15-12(4)10-16-13(5,7-2)9-11(3)14/h11-12,15H,6-10,14H2,1-5H3/t11?,12?,13-/m1/s1.
What are the key properties of (4R)-4-methyl-4-[2-(propylamino)propoxy]hexan-2-amine?
(4R)-4-methyl-4-[2-(propylamino)propoxy]hexan-2-amine has a molecular weight of 230.40 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-4-[2-(propylamino)propoxy]hexan-2-amine is sourced from PubChem (CID 156509563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).