4-benzyl-2-methylhexan-3-amine

C14H23N — CID 79299139

IUPAC4-benzyl-2-methylhexan-3-amine
SMILESCCC(Cc1ccccc1)C(N)C(C)C
InChIInChI=1S/C14H23N/c1-4-13(14(15)11(2)3)10-12-8-6-5-7-9-12/h5-9,11,13-14H,4,10,15H2,1-3H3
InChIKeyCUNLOVYXWZKZGJ-UHFFFAOYSA-N
MW205.35 g/mol
LogP3.24
Rot. Bonds5

About 4-benzyl-2-methylhexan-3-amine

4-benzyl-2-methylhexan-3-amine (PubChem CID 79299139) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is 4-benzyl-2-methylhexan-3-amine.

Molecular Properties

Compound Name4-benzyl-2-methylhexan-3-amine
PubChem CID79299139
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC Name4-benzyl-2-methylhexan-3-amine
SMILESCCC(Cc1ccccc1)C(N)C(C)C
InChIInChI=1S/C14H23N/c1-4-13(14(15)11(2)3)10-12-8-6-5-7-9-12/h5-9,11,13-14H,4,10,15H2,1-3H3
InChIKeyCUNLOVYXWZKZGJ-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S)-3-benzylpentan-2-amine
CID 93427085
[(2S)-2-ethyl-3-methylbutyl]benzene
CID 59911229
ethane;(2-ethyl-3-methylbutyl)benzene
CID 166139706
4-benzylhexan-3-amine
CID 79307662
(2-benzyl-3-methylbutyl)benzene
CID 22277918
2-benzyl-3-methylbutan-1-amine
CID 59900587
(2R)-3-methyl-1-phenylbutan-2-amine
CID 11390020
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
(2R)-2-benzyl-3-methylpentan-1-ol
CID 15214035
azane;1-phenylpropan-2-amine
CID 67350534
(4-methyl-2-propan-2-ylpentyl)benzene
CID 59105661
potassium;1-phenylpropan-2-amine;iodide
CID 70390373

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-methylhexan-3-amine?
The IUPAC name of 4-benzyl-2-methylhexan-3-amine (CID 79299139) is 4-benzyl-2-methylhexan-3-amine.
What is the SMILES notation for 4-benzyl-2-methylhexan-3-amine?
The canonical SMILES for 4-benzyl-2-methylhexan-3-amine is CCC(Cc1ccccc1)C(N)C(C)C.
What is the InChIKey of 4-benzyl-2-methylhexan-3-amine?
The InChIKey is CUNLOVYXWZKZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-4-13(14(15)11(2)3)10-12-8-6-5-7-9-12/h5-9,11,13-14H,4,10,15H2,1-3H3.
What are the key properties of 4-benzyl-2-methylhexan-3-amine?
4-benzyl-2-methylhexan-3-amine has a molecular weight of 205.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-methylhexan-3-amine is sourced from PubChem (CID 79299139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).