N-methyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]pentan-3-amine

C18H32N2 — CID 115463724

IUPACN-methyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]pentan-3-amine
SMILESCCCNCCc1ccccc1CN(C)C(CC)CC
InChIInChI=1S/C18H32N2/c1-5-13-19-14-12-16-10-8-9-11-17(16)15-20(4)18(6-2)7-3/h8-11,18-19H,5-7,12-15H2,1-4H3
InChIKeyYYXNBQJJJJLAKJ-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.85
Rot. Bonds10

About N-methyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]pentan-3-amine

N-methyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]pentan-3-amine (PubChem CID 115463724) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-methyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]pentan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]pentan-3-amine
PubChem CID115463724
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-methyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]pentan-3-amine
SMILESCCCNCCc1ccccc1CN(C)C(CC)CC
InChIInChI=1S/C18H32N2/c1-5-13-19-14-12-16-10-8-9-11-17(16)15-20(4)18(6-2)7-3/h8-11,18-19H,5-7,12-15H2,1-4H3
InChIKeyYYXNBQJJJJLAKJ-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
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

N,2-dimethyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]butan-1-amine
CID 115463667
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-2-amine
CID 115463757
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]pentan-3-amine
CID 55074902
N-[2-[2-[[ethyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 115463617
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine
CID 115463727
N-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine
CID 62433557
N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]pentan-2-amine
CID 115463756
N-[2-[2-(propan-2-yloxymethyl)phenyl]ethyl]propan-1-amine
CID 113314833
N-[[2-(2-aminoethyl)phenyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112661017
N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
CID 115463579
2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 115463583
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylbutan-1-amine
CID 115463664

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]pentan-3-amine?
The IUPAC name of N-methyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]pentan-3-amine (CID 115463724) is N-methyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]pentan-3-amine.
What is the SMILES notation for N-methyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]pentan-3-amine?
The canonical SMILES for N-methyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]pentan-3-amine is CCCNCCc1ccccc1CN(C)C(CC)CC.
What is the InChIKey of N-methyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]pentan-3-amine?
The InChIKey is YYXNBQJJJJLAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-5-13-19-14-12-16-10-8-9-11-17(16)15-20(4)18(6-2)7-3/h8-11,18-19H,5-7,12-15H2,1-4H3.
What are the key properties of N-methyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]pentan-3-amine?
N-methyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]pentan-3-amine has a molecular weight of 276.47 g/mol, XLogP of 3.85, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]pentan-3-amine is sourced from PubChem (CID 115463724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).