5-(2,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine

C18H31N — CID 65305044

IUPAC5-(2,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCc1ccc(C)c(CCC(C)CCNCC(C)C)c1
InChIInChI=1S/C18H31N/c1-14(2)13-19-11-10-15(3)7-9-18-12-16(4)6-8-17(18)5/h6,8,12,14-15,19H,7,9-11,13H2,1-5H3
InChIKeyDUIFEGDIEMWVDM-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.51
Rot. Bonds8

About 5-(2,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine

5-(2,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine (PubChem CID 65305044) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
PubChem CID65305044
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name5-(2,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCc1ccc(C)c(CCC(C)CCNCC(C)C)c1
InChIInChI=1S/C18H31N/c1-14(2)13-19-11-10-15(3)7-9-18-12-16(4)6-8-17(18)5/h6,8,12,14-15,19H,7,9-11,13H2,1-5H3
InChIKeyDUIFEGDIEMWVDM-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2,5-dimethylphenyl)-N,3-dimethylpentan-1-amine
CID 65304462
4-(2,5-dimethylphenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64664141
5-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 115485089
4-(5-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 105375543
N-[2-(2,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202717
5-(2,5-dichlorophenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 65303779
5-(3,4-diethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 115483386
4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64666050
2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63522399
2-[(2,5-dimethylphenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63507772
N-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66026917
3-methyl-N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)butan-1-amine
CID 81015450

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 5-(2,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine (CID 65305044) is 5-(2,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 5-(2,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine is Cc1ccc(C)c(CCC(C)CCNCC(C)C)c1.
What is the InChIKey of 5-(2,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is DUIFEGDIEMWVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-14(2)13-19-11-10-15(3)7-9-18-12-16(4)6-8-17(18)5/h6,8,12,14-15,19H,7,9-11,13H2,1-5H3.
What are the key properties of 5-(2,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine?
5-(2,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 65305044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).