4,4-dimethyl-5-(2-methylphenyl)-N-propylpentan-2-amine

C17H29N — CID 64715133

IUPAC4,4-dimethyl-5-(2-methylphenyl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)(C)Cc1ccccc1C
InChIInChI=1S/C17H29N/c1-6-11-18-15(3)12-17(4,5)13-16-10-8-7-9-14(16)2/h7-10,15,18H,6,11-13H2,1-5H3
InChIKeyPTBKQVWFOJKNFZ-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.34
Rot. Bonds7

About 4,4-dimethyl-5-(2-methylphenyl)-N-propylpentan-2-amine

4,4-dimethyl-5-(2-methylphenyl)-N-propylpentan-2-amine (PubChem CID 64715133) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 4,4-dimethyl-5-(2-methylphenyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-5-(2-methylphenyl)-N-propylpentan-2-amine
PubChem CID64715133
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name4,4-dimethyl-5-(2-methylphenyl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)(C)Cc1ccccc1C
InChIInChI=1S/C17H29N/c1-6-11-18-15(3)12-17(4,5)13-16-10-8-7-9-14(16)2/h7-10,15,18H,6,11-13H2,1-5H3
InChIKeyPTBKQVWFOJKNFZ-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-4-(2-methylphenyl)-N-propan-2-ylbutan-1-amine
CID 81022087
2,2-dimethyl-3-(2-methylphenyl)-N-propylpropan-1-amine
CID 62723929
3,3-dimethyl-4-(2-methylphenyl)-N-propylbutan-1-amine
CID 81023143
4-methoxy-4-methyl-N-[2-(2-methylphenyl)ethyl]pentan-2-amine
CID 79763034
5-(3-bromophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 64716821
5-(2-chloro-4-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 64717449
1-(2,2-dimethylpropyl)-2-methylbenzene
CID 21464495
5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethyl-N-propylpentan-2-amine
CID 66364834
N'-tert-butyl-N-[1-(2-methylphenyl)propan-2-yl]ethane-1,2-diamine
CID 107445356
1-(2-methylphenyl)-N-propylhex-4-yn-2-amine
CID 62311593
3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116758206
N-ethyl-4,4-dimethyl-5-(3-methylphenyl)pentan-2-amine
CID 64717868

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(2-methylphenyl)-N-propylpentan-2-amine?
The IUPAC name of 4,4-dimethyl-5-(2-methylphenyl)-N-propylpentan-2-amine (CID 64715133) is 4,4-dimethyl-5-(2-methylphenyl)-N-propylpentan-2-amine.
What is the SMILES notation for 4,4-dimethyl-5-(2-methylphenyl)-N-propylpentan-2-amine?
The canonical SMILES for 4,4-dimethyl-5-(2-methylphenyl)-N-propylpentan-2-amine is CCCNC(C)CC(C)(C)Cc1ccccc1C.
What is the InChIKey of 4,4-dimethyl-5-(2-methylphenyl)-N-propylpentan-2-amine?
The InChIKey is PTBKQVWFOJKNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-6-11-18-15(3)12-17(4,5)13-16-10-8-7-9-14(16)2/h7-10,15,18H,6,11-13H2,1-5H3.
What are the key properties of 4,4-dimethyl-5-(2-methylphenyl)-N-propylpentan-2-amine?
4,4-dimethyl-5-(2-methylphenyl)-N-propylpentan-2-amine has a molecular weight of 247.43 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(2-methylphenyl)-N-propylpentan-2-amine is sourced from PubChem (CID 64715133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).