N-benzyl-2,2-dimethylpentan-3-amine

C14H23N — CID 11206526

IUPACN-benzyl-2,2-dimethylpentan-3-amine
SMILESCCC(NCc1ccccc1)C(C)(C)C
InChIInChI=1S/C14H23N/c1-5-13(14(2,3)4)15-11-12-9-7-6-8-10-12/h6-10,13,15H,5,11H2,1-4H3
InChIKeyBQXRARFWWYYYNW-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.60
Rot. Bonds4

About N-benzyl-2,2-dimethylpentan-3-amine

N-benzyl-2,2-dimethylpentan-3-amine (PubChem CID 11206526) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-benzyl-2,2-dimethylpentan-3-amine.

Molecular Properties

Compound NameN-benzyl-2,2-dimethylpentan-3-amine
PubChem CID11206526
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-benzyl-2,2-dimethylpentan-3-amine
SMILESCCC(NCc1ccccc1)C(C)(C)C
InChIInChI=1S/C14H23N/c1-5-13(14(2,3)4)15-11-12-9-7-6-8-10-12/h6-10,13,15H,5,11H2,1-4H3
InChIKeyBQXRARFWWYYYNW-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(benzylamino)-3,3-dimethylbutan-1-ol
CID 54563298
3-(benzylamino)-4,4-dimethylpentan-1-ol
CID 103949930
3-[(2,2-dimethylpentan-3-ylamino)methyl]phenol;hydrochloride
CID 115616088
2,2-dimethyl-N-(pyridin-3-ylmethyl)pentan-3-amine;hydrochloride
CID 115616065
2,2-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
CID 115867933
[2-(benzylamino)-3,3-dimethylbutyl] carbamate
CID 91176107
2-(benzylamino)-3,3-dimethylbutanenitrile
CID 10679630
(2R,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611865
(2S,3S)-N-benzyl-3-methylpentan-2-amine
CID 28611874
(2S,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611871
4-(benzylamino)hexan-3-ol
CID 123502120
N-benzyl-3,3-difluorobutan-2-amine
CID 130723597

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethylpentan-3-amine?
The IUPAC name of N-benzyl-2,2-dimethylpentan-3-amine (CID 11206526) is N-benzyl-2,2-dimethylpentan-3-amine.
What is the SMILES notation for N-benzyl-2,2-dimethylpentan-3-amine?
The canonical SMILES for N-benzyl-2,2-dimethylpentan-3-amine is CCC(NCc1ccccc1)C(C)(C)C.
What is the InChIKey of N-benzyl-2,2-dimethylpentan-3-amine?
The InChIKey is BQXRARFWWYYYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-13(14(2,3)4)15-11-12-9-7-6-8-10-12/h6-10,13,15H,5,11H2,1-4H3.
What are the key properties of N-benzyl-2,2-dimethylpentan-3-amine?
N-benzyl-2,2-dimethylpentan-3-amine has a molecular weight of 205.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethylpentan-3-amine is sourced from PubChem (CID 11206526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).