3-(aminomethyl)-N-(cyclohexylmethyl)-N-methylthian-3-amine

C14H28N2S — CID 62873285

IUPAC3-(aminomethyl)-N-(cyclohexylmethyl)-N-methylthian-3-amine
SMILESCN(CC1CCCCC1)C1(CN)CCCSC1
InChIInChI=1S/C14H28N2S/c1-16(10-13-6-3-2-4-7-13)14(11-15)8-5-9-17-12-14/h13H,2-12,15H2,1H3
InChIKeyLYGPYUFGPNTZBT-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.72
Rot. Bonds4

About 3-(aminomethyl)-N-(cyclohexylmethyl)-N-methylthian-3-amine

3-(aminomethyl)-N-(cyclohexylmethyl)-N-methylthian-3-amine (PubChem CID 62873285) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(cyclohexylmethyl)-N-methylthian-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(cyclohexylmethyl)-N-methylthian-3-amine
PubChem CID62873285
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name3-(aminomethyl)-N-(cyclohexylmethyl)-N-methylthian-3-amine
SMILESCN(CC1CCCCC1)C1(CN)CCCSC1
InChIInChI=1S/C14H28N2S/c1-16(10-13-6-3-2-4-7-13)14(11-15)8-5-9-17-12-14/h13H,2-12,15H2,1H3
InChIKeyLYGPYUFGPNTZBT-UHFFFAOYSA-N
XLogP2.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine
CID 79521344
3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine
CID 62871304
3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylthian-3-amine
CID 107397873
1-(aminomethyl)-N-(cyclopropylmethyl)-N-methylcyclooctan-1-amine
CID 60985128
3-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiolan-3-amine
CID 55175382
3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthian-3-amine
CID 55232625
3-(aminomethyl)-N-(2-methoxyethyl)-N-methylthian-3-amine
CID 62872376
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxepan-4-amine
CID 65079226
1-(aminomethyl)-N-(cyclohexylmethyl)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755111
3-(aminomethyl)-N-methyl-N-(thiolan-3-yl)thian-3-amine
CID 62871660
3-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxolan-3-amine
CID 63630516
1-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 62861295

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(cyclohexylmethyl)-N-methylthian-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(cyclohexylmethyl)-N-methylthian-3-amine (CID 62873285) is 3-(aminomethyl)-N-(cyclohexylmethyl)-N-methylthian-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(cyclohexylmethyl)-N-methylthian-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(cyclohexylmethyl)-N-methylthian-3-amine is CN(CC1CCCCC1)C1(CN)CCCSC1.
What is the InChIKey of 3-(aminomethyl)-N-(cyclohexylmethyl)-N-methylthian-3-amine?
The InChIKey is LYGPYUFGPNTZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-16(10-13-6-3-2-4-7-13)14(11-15)8-5-9-17-12-14/h13H,2-12,15H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(cyclohexylmethyl)-N-methylthian-3-amine?
3-(aminomethyl)-N-(cyclohexylmethyl)-N-methylthian-3-amine has a molecular weight of 256.46 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(cyclohexylmethyl)-N-methylthian-3-amine is sourced from PubChem (CID 62873285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).