(3R)-N-ethyl-2,5-dimethylhexan-3-amine

C10H23N — CID 59084835

IUPAC(3R)-N-ethyl-2,5-dimethylhexan-3-amine
SMILESCCN[C@H](CC(C)C)C(C)C
InChIInChI=1S/C10H23N/c1-6-11-10(9(4)5)7-8(2)3/h8-11H,6-7H2,1-5H3/t10-/m1/s1
InChIKeyDUPLXRBKXXZTTM-SNVBAGLBSA-N
MW157.30 g/mol
LogP2.67
Rot. Bonds5

About (3R)-N-ethyl-2,5-dimethylhexan-3-amine

(3R)-N-ethyl-2,5-dimethylhexan-3-amine (PubChem CID 59084835) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is (3R)-N-ethyl-2,5-dimethylhexan-3-amine.

Molecular Properties

Compound Name(3R)-N-ethyl-2,5-dimethylhexan-3-amine
PubChem CID59084835
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name(3R)-N-ethyl-2,5-dimethylhexan-3-amine
SMILESCCN[C@H](CC(C)C)C(C)C
InChIInChI=1S/C10H23N/c1-6-11-10(9(4)5)7-8(2)3/h8-11H,6-7H2,1-5H3/t10-/m1/s1
InChIKeyDUPLXRBKXXZTTM-SNVBAGLBSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-2,5-dimethylhexan-3-amine?
The IUPAC name of (3R)-N-ethyl-2,5-dimethylhexan-3-amine (CID 59084835) is (3R)-N-ethyl-2,5-dimethylhexan-3-amine.
What is the SMILES notation for (3R)-N-ethyl-2,5-dimethylhexan-3-amine?
The canonical SMILES for (3R)-N-ethyl-2,5-dimethylhexan-3-amine is CCN[C@H](CC(C)C)C(C)C.
What is the InChIKey of (3R)-N-ethyl-2,5-dimethylhexan-3-amine?
The InChIKey is DUPLXRBKXXZTTM-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H23N/c1-6-11-10(9(4)5)7-8(2)3/h8-11H,6-7H2,1-5H3/t10-/m1/s1.
What are the key properties of (3R)-N-ethyl-2,5-dimethylhexan-3-amine?
(3R)-N-ethyl-2,5-dimethylhexan-3-amine has a molecular weight of 157.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-2,5-dimethylhexan-3-amine is sourced from PubChem (CID 59084835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).