2-benzyl-N-propan-2-ylhexan-1-amine

C16H27N — CID 62528462

IUPAC2-benzyl-N-propan-2-ylhexan-1-amine
SMILESCCCCC(CNC(C)C)Cc1ccccc1
InChIInChI=1S/C16H27N/c1-4-5-9-16(13-17-14(2)3)12-15-10-7-6-8-11-15/h6-8,10-11,14,16-17H,4-5,9,12-13H2,1-3H3
InChIKeyIFJAHOOFLIJTMN-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.03
Rot. Bonds8

About 2-benzyl-N-propan-2-ylhexan-1-amine

2-benzyl-N-propan-2-ylhexan-1-amine (PubChem CID 62528462) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-benzyl-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name2-benzyl-N-propan-2-ylhexan-1-amine
PubChem CID62528462
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2-benzyl-N-propan-2-ylhexan-1-amine
SMILESCCCCC(CNC(C)C)Cc1ccccc1
InChIInChI=1S/C16H27N/c1-4-5-9-16(13-17-14(2)3)12-15-10-7-6-8-11-15/h6-8,10-11,14,16-17H,4-5,9,12-13H2,1-3H3
InChIKeyIFJAHOOFLIJTMN-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-4-ethyl-N-propan-2-yloctan-1-amine
CID 63496720
2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 63522974
2-benzyl-5-ethylsulfonyl-N-propan-2-ylpentan-1-amine
CID 65097173
2-benzyl-N-methylhexan-1-amine
CID 62529253
2-benzyl-N-propan-2-ylbutan-1-amine
CID 62528668
2-[(4-chlorophenyl)methyl]-N-propan-2-ylheptan-1-amine
CID 63520826
2-[(4-chlorophenyl)methyl]-N-propan-2-ylnonan-1-amine
CID 63523502
2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 55196988
2-ethyl-5-phenyl-N-propan-2-ylpentan-1-amine
CID 62528968
2-benzyl-N-methyldecan-1-amine
CID 63498488
2-benzyl-3-ethoxy-N-propan-2-ylpropan-1-amine
CID 113361817
2-benzyl-N-propylheptan-1-amine
CID 63496184

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-propan-2-ylhexan-1-amine?
The IUPAC name of 2-benzyl-N-propan-2-ylhexan-1-amine (CID 62528462) is 2-benzyl-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 2-benzyl-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 2-benzyl-N-propan-2-ylhexan-1-amine is CCCCC(CNC(C)C)Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-propan-2-ylhexan-1-amine?
The InChIKey is IFJAHOOFLIJTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-4-5-9-16(13-17-14(2)3)12-15-10-7-6-8-11-15/h6-8,10-11,14,16-17H,4-5,9,12-13H2,1-3H3.
What are the key properties of 2-benzyl-N-propan-2-ylhexan-1-amine?
2-benzyl-N-propan-2-ylhexan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 62528462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).