N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylcyclohexan-1-amine

C14H22N2S — CID 103782069

IUPACN-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NCc1ncccc1C
InChIInChI=1S/C14H22N2S/c1-11-6-5-9-15-13(11)10-16-12-7-3-4-8-14(12)17-2/h5-6,9,12,14,16H,3-4,7-8,10H2,1-2H3
InChIKeyITHCPEUDRSQSHL-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.15
Rot. Bonds4

About N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylcyclohexan-1-amine

N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylcyclohexan-1-amine (PubChem CID 103782069) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylcyclohexan-1-amine
PubChem CID103782069
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1CCCCC1NCc1ncccc1C
InChIInChI=1S/C14H22N2S/c1-11-6-5-9-15-13(11)10-16-12-7-3-4-8-14(12)17-2/h5-6,9,12,14,16H,3-4,7-8,10H2,1-2H3
InChIKeyITHCPEUDRSQSHL-UHFFFAOYSA-N
XLogP3.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol
CID 63306112
2-tert-butyl-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 63305408
trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol
CID 102733463
2-(chloromethyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 106365313
N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
CID 63305574
2-[(3-methyl-2-pyridinyl)methylamino]cyclopentane-1-carbonitrile
CID 63305762
2-methyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 115338606
2-cyclopropyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 113384129
3-ethyl-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 112650199
2-methylsulfanyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
CID 103777301
4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79740955
N-[(2,6-difluorophenyl)methyl]-2-methylsulfanylcyclohexan-1-amine
CID 113262761

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylcyclohexan-1-amine (CID 103782069) is N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylcyclohexan-1-amine is CSC1CCCCC1NCc1ncccc1C.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylcyclohexan-1-amine?
The InChIKey is ITHCPEUDRSQSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-11-6-5-9-15-13(11)10-16-12-7-3-4-8-14(12)17-2/h5-6,9,12,14,16H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylcyclohexan-1-amine?
N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylcyclohexan-1-amine has a molecular weight of 250.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 103782069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).