N-[(3,5-dimethylphenyl)methyl]-7-methyloctan-1-amine

C18H31N — CID 60689891

IUPACN-[(3,5-dimethylphenyl)methyl]-7-methyloctan-1-amine
SMILESCc1cc(C)cc(CNCCCCCCC(C)C)c1
InChIInChI=1S/C18H31N/c1-15(2)9-7-5-6-8-10-19-14-18-12-16(3)11-17(4)13-18/h11-13,15,19H,5-10,14H2,1-4H3
InChIKeyQUBUXJHZMSCTFM-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.00
Rot. Bonds9

About N-[(3,5-dimethylphenyl)methyl]-7-methyloctan-1-amine

N-[(3,5-dimethylphenyl)methyl]-7-methyloctan-1-amine (PubChem CID 60689891) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-7-methyloctan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-7-methyloctan-1-amine
PubChem CID60689891
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-7-methyloctan-1-amine
SMILESCc1cc(C)cc(CNCCCCCCC(C)C)c1
InChIInChI=1S/C18H31N/c1-15(2)9-7-5-6-8-10-19-14-18-12-16(3)11-17(4)13-18/h11-13,15,19H,5-10,14H2,1-4H3
InChIKeyQUBUXJHZMSCTFM-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 55.00
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

N-[(3,5-dichlorophenyl)methyl]-5-methylhexan-1-amine
CID 113287343
3-bromo-5-[(5-methylhexylamino)methyl]aniline
CID 113287591
3-chloro-N-[(3,5-dimethylphenyl)methyl]propan-1-amine
CID 65026271
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
N-[(4-cyclopropylphenyl)methyl]-7-methyloctan-1-amine
CID 79978978
7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine
CID 28527730
5-methyl-N-[(4-methylsulfanylphenyl)methyl]hexan-1-amine
CID 113287353
2-fluoro-4-[(5-methylhexylamino)methyl]aniline
CID 113287600
5-methyl-N-[(1-methylpyrrol-3-yl)methyl]hexan-1-amine
CID 115325132
5-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexan-1-amine
CID 115325146
N-[(3-chloro-4-methylphenyl)methyl]-4-methylpentan-1-amine
CID 106816670

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-7-methyloctan-1-amine?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-7-methyloctan-1-amine (CID 60689891) is N-[(3,5-dimethylphenyl)methyl]-7-methyloctan-1-amine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-7-methyloctan-1-amine?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-7-methyloctan-1-amine is Cc1cc(C)cc(CNCCCCCCC(C)C)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-7-methyloctan-1-amine?
The InChIKey is QUBUXJHZMSCTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-15(2)9-7-5-6-8-10-19-14-18-12-16(3)11-17(4)13-18/h11-13,15,19H,5-10,14H2,1-4H3.
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-7-methyloctan-1-amine?
N-[(3,5-dimethylphenyl)methyl]-7-methyloctan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-7-methyloctan-1-amine is sourced from PubChem (CID 60689891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).