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

C19H34N2 — CID 105346938

IUPACN-methyl-N-[[4-[1-(propan-2-ylamino)propan-2-yl]phenyl]methyl]pentan-1-amine
SMILESCCCCCN(C)Cc1ccc(C(C)CNC(C)C)cc1
InChIInChI=1S/C19H34N2/c1-6-7-8-13-21(5)15-18-9-11-19(12-10-18)17(4)14-20-16(2)3/h9-12,16-17,20H,6-8,13-15H2,1-5H3
InChIKeyKIJIMAMHPICPRU-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.41
Rot. Bonds10

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

N-methyl-N-[[4-[1-(propan-2-ylamino)propan-2-yl]phenyl]methyl]pentan-1-amine (PubChem CID 105346938) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N-methyl-N-[[4-[1-(propan-2-ylamino)propan-2-yl]phenyl]methyl]pentan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[4-[1-(propan-2-ylamino)propan-2-yl]phenyl]methyl]pentan-1-amine
PubChem CID105346938
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN-methyl-N-[[4-[1-(propan-2-ylamino)propan-2-yl]phenyl]methyl]pentan-1-amine
SMILESCCCCCN(C)Cc1ccc(C(C)CNC(C)C)cc1
InChIInChI=1S/C19H34N2/c1-6-7-8-13-21(5)15-18-9-11-19(12-10-18)17(4)14-20-16(2)3/h9-12,16-17,20H,6-8,13-15H2,1-5H3
InChIKeyKIJIMAMHPICPRU-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

2-[4-[[methyl(prop-2-ynyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine
CID 105348064
N-butyl-N,N'-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine
CID 169214911
2-[4-[[ethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine
CID 105346793
N-[(4-butan-2-ylphenyl)methyl]-2-chloro-N-methylethanamine
CID 115214911
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-1-amine
CID 55074599
2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine
CID 105347782
N-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine
CID 62422254
2-[4-(methoxymethyl)phenyl]-N-propan-2-ylpropan-1-amine
CID 105349131
N-ethyl-N,N'-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine
CID 155750962
N'-[(4-butan-2-ylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 115205898
N-[2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105347466
N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 138737865

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-[1-(propan-2-ylamino)propan-2-yl]phenyl]methyl]pentan-1-amine?
The IUPAC name of N-methyl-N-[[4-[1-(propan-2-ylamino)propan-2-yl]phenyl]methyl]pentan-1-amine (CID 105346938) is N-methyl-N-[[4-[1-(propan-2-ylamino)propan-2-yl]phenyl]methyl]pentan-1-amine.
What is the SMILES notation for N-methyl-N-[[4-[1-(propan-2-ylamino)propan-2-yl]phenyl]methyl]pentan-1-amine?
The canonical SMILES for N-methyl-N-[[4-[1-(propan-2-ylamino)propan-2-yl]phenyl]methyl]pentan-1-amine is CCCCCN(C)Cc1ccc(C(C)CNC(C)C)cc1.
What is the InChIKey of N-methyl-N-[[4-[1-(propan-2-ylamino)propan-2-yl]phenyl]methyl]pentan-1-amine?
The InChIKey is KIJIMAMHPICPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-7-8-13-21(5)15-18-9-11-19(12-10-18)17(4)14-20-16(2)3/h9-12,16-17,20H,6-8,13-15H2,1-5H3.
What are the key properties of N-methyl-N-[[4-[1-(propan-2-ylamino)propan-2-yl]phenyl]methyl]pentan-1-amine?
N-methyl-N-[[4-[1-(propan-2-ylamino)propan-2-yl]phenyl]methyl]pentan-1-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-(propan-2-ylamino)propan-2-yl]phenyl]methyl]pentan-1-amine is sourced from PubChem (CID 105346938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).