N-methyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]pentan-2-amine

C19H34N2 — CID 105347096

IUPACN-methyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]pentan-2-amine
SMILESCCCNCC(C)c1ccc(CN(C)C(C)CCC)cc1
InChIInChI=1S/C19H34N2/c1-6-8-17(4)21(5)15-18-9-11-19(12-10-18)16(3)14-20-13-7-2/h9-12,16-17,20H,6-8,13-15H2,1-5H3
InChIKeyDJXJZYUVAUWEDM-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.41
Rot. Bonds10

About N-methyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]pentan-2-amine

N-methyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]pentan-2-amine (PubChem CID 105347096) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N-methyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]pentan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]pentan-2-amine
PubChem CID105347096
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN-methyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]pentan-2-amine
SMILESCCCNCC(C)c1ccc(CN(C)C(C)CCC)cc1
InChIInChI=1S/C19H34N2/c1-6-8-17(4)21(5)15-18-9-11-19(12-10-18)16(3)14-20-13-7-2/h9-12,16-17,20H,6-8,13-15H2,1-5H3
InChIKeyDJXJZYUVAUWEDM-UHFFFAOYSA-N
XLogP4.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.41
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-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N-methylbutan-2-amine
CID 105346750
N-ethyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]cyclopropanamine
CID 105346894
2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine
CID 105348147
2-[4-[[methyl(pentan-2-yl)amino]methyl]phenyl]propanoic acid
CID 105345697
methyl 4-[[methyl(pentan-2-yl)amino]methyl]benzoate
CID 43430064
2-N,3-dimethyl-2-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,2-diamine
CID 55070048
3-N,2-dimethyl-3-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,3-diamine
CID 79414500
2-[4-(3,6-dihydro-2H-pyridin-1-ylmethyl)phenyl]-N-propylpropan-1-amine
CID 105348426
N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105346741
2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349563
2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349722
[4-[[methyl(pentan-2-yl)amino]methyl]phenyl]boronic acid
CID 54970676

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]pentan-2-amine?
The IUPAC name of N-methyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]pentan-2-amine (CID 105347096) is N-methyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]pentan-2-amine.
What is the SMILES notation for N-methyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]pentan-2-amine?
The canonical SMILES for N-methyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]pentan-2-amine is CCCNCC(C)c1ccc(CN(C)C(C)CCC)cc1.
What is the InChIKey of N-methyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]pentan-2-amine?
The InChIKey is DJXJZYUVAUWEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-8-17(4)21(5)15-18-9-11-19(12-10-18)16(3)14-20-13-7-2/h9-12,16-17,20H,6-8,13-15H2,1-5H3.
What are the key properties of N-methyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]pentan-2-amine?
N-methyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]pentan-2-amine has a molecular weight of 290.50 g/mol, XLogP of 4.41, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]pentan-2-amine is sourced from PubChem (CID 105347096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).