N-methyl-1-phenyl-N-(undecylsulfanylmethyl)methanamine

C20H35NS — CID 10087441

IUPACN-methyl-1-phenyl-N-(undecylsulfanylmethyl)methanamine
SMILESCCCCCCCCCCCSCN(C)Cc1ccccc1
InChIInChI=1S/C20H35NS/c1-3-4-5-6-7-8-9-10-14-17-22-19-21(2)18-20-15-12-11-13-16-20/h11-13,15-16H,3-10,14,17-19H2,1-2H3
InChIKeyKNZMEFVDSHTHGB-UHFFFAOYSA-N
MW321.57 g/mol
LogP6.34
Rot. Bonds14

About N-methyl-1-phenyl-N-(undecylsulfanylmethyl)methanamine

N-methyl-1-phenyl-N-(undecylsulfanylmethyl)methanamine (PubChem CID 10087441) has the molecular formula C20H35NS and a molecular weight of 321.57 g/mol. Its IUPAC name is N-methyl-1-phenyl-N-(undecylsulfanylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-phenyl-N-(undecylsulfanylmethyl)methanamine
PubChem CID10087441
Molecular FormulaC20H35NS
Molecular Weight321.57 g/mol
Exact Mass321.25
IUPAC NameN-methyl-1-phenyl-N-(undecylsulfanylmethyl)methanamine
SMILESCCCCCCCCCCCSCN(C)Cc1ccccc1
InChIInChI=1S/C20H35NS/c1-3-4-5-6-7-8-9-10-14-17-22-19-21(2)18-20-15-12-11-13-16-20/h11-13,15-16H,3-10,14,17-19H2,1-2H3
InChIKeyKNZMEFVDSHTHGB-UHFFFAOYSA-N
XLogP6.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.57
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-methyl-1-phenyl-N-(undecylsulfanylmethyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
N,N-dibenzyldodecan-1-amine
CID 11508874
N-benzyl-N-pentadecan-2-ylpentadecan-2-amine
CID 90045050
N-benzyl-N-methyl-4-propan-2-ylsulfanylbutan-1-amine
CID 143113319
(heptyldisulfanyl)methylbenzene
CID 141419061
1,3-bis(octadecylsulfanylmethyl)benzene
CID 170908895
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
(2R,3S)-3-(dibenzylamino)-1-pentylsulfanyl-4-phenylbutan-2-ol
CID 102512935
hexakis(decane);ethylbenzene
CID 173398562
dodecyl 2-[benzyl(methyl)amino]acetate
CID 101127570
1-[benzyl(methyl)amino]-3-hexylnonan-2-one
CID 129213407
N,N-dibenzyl-1-phenylmethanamine;hexan-1-amine
CID 70589352

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-N-(undecylsulfanylmethyl)methanamine?
The IUPAC name of N-methyl-1-phenyl-N-(undecylsulfanylmethyl)methanamine (CID 10087441) is N-methyl-1-phenyl-N-(undecylsulfanylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-phenyl-N-(undecylsulfanylmethyl)methanamine?
The canonical SMILES for N-methyl-1-phenyl-N-(undecylsulfanylmethyl)methanamine is CCCCCCCCCCCSCN(C)Cc1ccccc1.
What is the InChIKey of N-methyl-1-phenyl-N-(undecylsulfanylmethyl)methanamine?
The InChIKey is KNZMEFVDSHTHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NS/c1-3-4-5-6-7-8-9-10-14-17-22-19-21(2)18-20-15-12-11-13-16-20/h11-13,15-16H,3-10,14,17-19H2,1-2H3.
What are the key properties of N-methyl-1-phenyl-N-(undecylsulfanylmethyl)methanamine?
N-methyl-1-phenyl-N-(undecylsulfanylmethyl)methanamine has a molecular weight of 321.57 g/mol, XLogP of 6.34, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-N-(undecylsulfanylmethyl)methanamine is sourced from PubChem (CID 10087441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).