N-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine

C18H32N2 — CID 62422254

IUPACN-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine
SMILESCCCCCN(C)Cc1cccc(CNCC(C)C)c1
InChIInChI=1S/C18H32N2/c1-5-6-7-11-20(4)15-18-10-8-9-17(12-18)14-19-13-16(2)3/h8-10,12,16,19H,5-7,11,13-15H2,1-4H3
InChIKeyMLEOWOMCJYAUJG-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.05
Rot. Bonds10

About N-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine

N-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine (PubChem CID 62422254) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine
PubChem CID62422254
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine
SMILESCCCCCN(C)Cc1cccc(CNCC(C)C)c1
InChIInChI=1S/C18H32N2/c1-5-6-7-11-20(4)15-18-10-8-9-17(12-18)14-19-13-16(2)3/h8-10,12,16,19H,5-7,11,13-15H2,1-4H3
InChIKeyMLEOWOMCJYAUJG-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62418494
2-methyl-N-[[3-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 62451172
N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63657931
N-[[3-methoxy-4-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-1-amine
CID 84746234
N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 71201517
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62418448
N'-[(3-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine
CID 62412294
3-methoxy-N-methyl-N-[[3-(propylaminomethyl)phenyl]methyl]propan-1-amine
CID 63007765
N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-pentylaniline
CID 63553375
2-methyl-N-[(3-pentylsulfanylphenyl)methyl]propan-1-amine
CID 66349687
N-[[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63008493
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62419099

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine?
The IUPAC name of N-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine (CID 62422254) is N-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine.
What is the SMILES notation for N-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine?
The canonical SMILES for N-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine is CCCCCN(C)Cc1cccc(CNCC(C)C)c1.
What is the InChIKey of N-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine?
The InChIKey is MLEOWOMCJYAUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-5-6-7-11-20(4)15-18-10-8-9-17(12-18)14-19-13-16(2)3/h8-10,12,16,19H,5-7,11,13-15H2,1-4H3.
What are the key properties of N-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine?
N-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine has a molecular weight of 276.47 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine is sourced from PubChem (CID 62422254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).