N,2-dimethyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine

C17H29N — CID 63509418

IUPACN,2-dimethyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
SMILESCCCC(C)(CNC)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C17H29N/c1-6-11-17(4,13-18-5)12-15-7-9-16(10-8-15)14(2)3/h7-10,14,18H,6,11-13H2,1-5H3
InChIKeyZNSOODZIIVVYLK-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.38
Rot. Bonds7

About N,2-dimethyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine

N,2-dimethyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine (PubChem CID 63509418) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N,2-dimethyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
PubChem CID63509418
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN,2-dimethyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
SMILESCCCC(C)(CNC)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C17H29N/c1-6-11-17(4,13-18-5)12-15-7-9-16(10-8-15)14(2)3/h7-10,14,18H,6,11-13H2,1-5H3
InChIKeyZNSOODZIIVVYLK-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-iodophenyl)methyl]-N,2-dimethylpentan-1-amine
CID 65491899
2-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 55194901
N-ethyl-2-methyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 63509011
2-(furan-3-ylmethyl)-N,2-dimethylpentan-1-amine
CID 83182602
N,2-dimethyl-2-[(4-methylphenyl)methyl]butan-1-amine
CID 62723481
1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
CID 166076943
2-methyl-1-(4-propan-2-ylphenyl)heptan-2-ol
CID 80557871
2-[(3-chloro-4-fluorophenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 103041060
1-(3,3-dimethylbutyl)-4-propan-2-ylbenzene;methane
CID 171834483
N,2-diethyl-2-[(4-propan-2-ylphenyl)methyl]hexan-1-amine
CID 63509469
N,2-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]pentan-1-amine
CID 63509074
1-(2,2-dimethoxypropyl)-4-propan-2-ylbenzene
CID 71733772

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine?
The IUPAC name of N,2-dimethyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine (CID 63509418) is N,2-dimethyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine.
What is the SMILES notation for N,2-dimethyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine?
The canonical SMILES for N,2-dimethyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine is CCCC(C)(CNC)Cc1ccc(C(C)C)cc1.
What is the InChIKey of N,2-dimethyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine?
The InChIKey is ZNSOODZIIVVYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-6-11-17(4,13-18-5)12-15-7-9-16(10-8-15)14(2)3/h7-10,14,18H,6,11-13H2,1-5H3.
What are the key properties of N,2-dimethyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine?
N,2-dimethyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 63509418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).