2-benzyl-N-propan-2-ylbutan-1-amine

C14H23N — CID 62528668

IUPAC2-benzyl-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)Cc1ccccc1
InChIInChI=1S/C14H23N/c1-4-13(11-15-12(2)3)10-14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3
InChIKeyMKOLSCGSTIHVNY-UHFFFAOYSA-N
MW205.35 g/mol
LogP3.25
Rot. Bonds6

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

2-benzyl-N-propan-2-ylbutan-1-amine (PubChem CID 62528668) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is 2-benzyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-benzyl-N-propan-2-ylbutan-1-amine
PubChem CID62528668
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC Name2-benzyl-N-propan-2-ylbutan-1-amine
SMILESCCC(CNC(C)C)Cc1ccccc1
InChIInChI=1S/C14H23N/c1-4-13(11-15-12(2)3)10-14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3
InChIKeyMKOLSCGSTIHVNY-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.25
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-benzyl-N-propan-2-ylhexan-1-amine
CID 62528462
2-benzyl-3-ethoxy-N-propan-2-ylpropan-1-amine
CID 113361817
2-ethyl-5-phenyl-N-propan-2-ylpentan-1-amine
CID 62528968
N-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 55082770
2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 63496188
2-ethylbutylbenzene;methane
CID 158777195
2-benzyl-5-ethylsulfonyl-N-propan-2-ylpentan-1-amine
CID 65097173
2-(naphthalen-1-ylmethyl)-N-propan-2-ylbutan-1-amine
CID 62531157
(2R)-2-benzylbutan-1-amine
CID 42325983
2-[(3-chloro-4-fluorophenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 103041008
2-[(4-ethylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine
CID 63496037

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-benzyl-N-propan-2-ylbutan-1-amine (CID 62528668) is 2-benzyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-benzyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-benzyl-N-propan-2-ylbutan-1-amine is CCC(CNC(C)C)Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-propan-2-ylbutan-1-amine?
The InChIKey is MKOLSCGSTIHVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-4-13(11-15-12(2)3)10-14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3.
What are the key properties of 2-benzyl-N-propan-2-ylbutan-1-amine?
2-benzyl-N-propan-2-ylbutan-1-amine has a molecular weight of 205.35 g/mol, XLogP of 3.25, 6 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-ylbutan-1-amine is sourced from PubChem (CID 62528668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).