1-[2-imino-1-(2,4,6-trimethylphenyl)piperidin-3-yl]-N-methyl-2-thiophen-2-ylpentan-1-amine

C24H35N3S — CID 142248738

IUPAC1-[2-imino-1-(2,4,6-trimethylphenyl)piperidin-3-yl]-N-methyl-2-thiophen-2-ylpentan-1-amine
SMILES[H]/N=C1\C(C(NC)C(CCC)c2cccs2)CCCN1c1c(C)cc(C)cc1C
InChIInChI=1S/C24H35N3S/c1-6-9-19(21-11-8-13-28-21)22(26-5)20-10-7-12-27(24(20)25)23-17(3)14-16(2)15-18(23)4/h8,11,13-15,19-20,22,25-26H,6-7,9-10,12H2,1-5H3/b25-24+
InChIKeyUHSHCKDWOIQQGB-OCOZRVBESA-N
MW397.63 g/mol
LogP6.04
Rot. Bonds7

About 1-[2-imino-1-(2,4,6-trimethylphenyl)piperidin-3-yl]-N-methyl-2-thiophen-2-ylpentan-1-amine

1-[2-imino-1-(2,4,6-trimethylphenyl)piperidin-3-yl]-N-methyl-2-thiophen-2-ylpentan-1-amine (PubChem CID 142248738) has the molecular formula C24H35N3S and a molecular weight of 397.63 g/mol. Its IUPAC name is 1-[2-imino-1-(2,4,6-trimethylphenyl)piperidin-3-yl]-N-methyl-2-thiophen-2-ylpentan-1-amine.

Molecular Properties

Compound Name1-[2-imino-1-(2,4,6-trimethylphenyl)piperidin-3-yl]-N-methyl-2-thiophen-2-ylpentan-1-amine
PubChem CID142248738
Molecular FormulaC24H35N3S
Molecular Weight397.63 g/mol
Exact Mass397.26
IUPAC Name1-[2-imino-1-(2,4,6-trimethylphenyl)piperidin-3-yl]-N-methyl-2-thiophen-2-ylpentan-1-amine
SMILES[H]/N=C1\C(C(NC)C(CCC)c2cccs2)CCCN1c1c(C)cc(C)cc1C
InChIInChI=1S/C24H35N3S/c1-6-9-19(21-11-8-13-28-21)22(26-5)20-10-7-12-27(24(20)25)23-17(3)14-16(2)15-18(23)4/h8,11,13-15,19-20,22,25-26H,6-7,9-10,12H2,1-5H3/b25-24+
InChIKeyUHSHCKDWOIQQGB-OCOZRVBESA-N
XLogP6.04
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.63
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-thiophen-2-yl-N-[(2,4,6-trimethylphenyl)methyl]butan-1-amine
CID 63454808
N-(1-thiophen-2-ylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853218
N-[cyclopentyl(thiophen-2-yl)methyl]octan-4-amine
CID 106023478
N-methyl-8-(1-thiophen-2-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62738480
1-butyl-2-thiophen-2-ylpyrrolidine
CID 102544357
(3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 31942735
N-[[1-(1-thiophen-2-ylbutyl)pyrrolidin-3-yl]methyl]ethanamine
CID 62511490
N-propyl-1-(1-thiophen-2-ylbutyl)pyrrolidin-3-amine
CID 54962549
N-(1-thiophen-2-ylbutyl)pyrrolidine-2-carboxamide
CID 54962408
1-propyl-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine
CID 81398218
N-[2-thiophen-2-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 63528434
N-[3-(oxolan-2-yl)propyl]-1-thiophen-2-ylbutan-1-amine
CID 65164005

Frequently Asked Questions

What is the IUPAC name of 1-[2-imino-1-(2,4,6-trimethylphenyl)piperidin-3-yl]-N-methyl-2-thiophen-2-ylpentan-1-amine?
The IUPAC name of 1-[2-imino-1-(2,4,6-trimethylphenyl)piperidin-3-yl]-N-methyl-2-thiophen-2-ylpentan-1-amine (CID 142248738) is 1-[2-imino-1-(2,4,6-trimethylphenyl)piperidin-3-yl]-N-methyl-2-thiophen-2-ylpentan-1-amine.
What is the SMILES notation for 1-[2-imino-1-(2,4,6-trimethylphenyl)piperidin-3-yl]-N-methyl-2-thiophen-2-ylpentan-1-amine?
The canonical SMILES for 1-[2-imino-1-(2,4,6-trimethylphenyl)piperidin-3-yl]-N-methyl-2-thiophen-2-ylpentan-1-amine is [H]/N=C1\C(C(NC)C(CCC)c2cccs2)CCCN1c1c(C)cc(C)cc1C.
What is the InChIKey of 1-[2-imino-1-(2,4,6-trimethylphenyl)piperidin-3-yl]-N-methyl-2-thiophen-2-ylpentan-1-amine?
The InChIKey is UHSHCKDWOIQQGB-OCOZRVBESA-N. The full InChI is InChI=1S/C24H35N3S/c1-6-9-19(21-11-8-13-28-21)22(26-5)20-10-7-12-27(24(20)25)23-17(3)14-16(2)15-18(23)4/h8,11,13-15,19-20,22,25-26H,6-7,9-10,12H2,1-5H3/b25-24+.
What are the key properties of 1-[2-imino-1-(2,4,6-trimethylphenyl)piperidin-3-yl]-N-methyl-2-thiophen-2-ylpentan-1-amine?
1-[2-imino-1-(2,4,6-trimethylphenyl)piperidin-3-yl]-N-methyl-2-thiophen-2-ylpentan-1-amine has a molecular weight of 397.63 g/mol, XLogP of 6.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-imino-1-(2,4,6-trimethylphenyl)piperidin-3-yl]-N-methyl-2-thiophen-2-ylpentan-1-amine is sourced from PubChem (CID 142248738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).