1-(aminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclohexan-1-amine

C14H30N2S — CID 112658341

IUPAC1-(aminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(CSC)N(C)C1(CN)CCCCC1C
InChIInChI=1S/C14H30N2S/c1-5-13(10-17-4)16(3)14(11-15)9-7-6-8-12(14)2/h12-13H,5-11,15H2,1-4H3
InChIKeySFWLQRYMIVBICE-UHFFFAOYSA-N
MW258.47 g/mol
LogP2.97
Rot. Bonds6

About 1-(aminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclohexan-1-amine

1-(aminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclohexan-1-amine (PubChem CID 112658341) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is 1-(aminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclohexan-1-amine
PubChem CID112658341
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC Name1-(aminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(CSC)N(C)C1(CN)CCCCC1C
InChIInChI=1S/C14H30N2S/c1-5-13(10-17-4)16(3)14(11-15)9-7-6-8-12(14)2/h12-13H,5-11,15H2,1-4H3
InChIKeySFWLQRYMIVBICE-UHFFFAOYSA-N
XLogP2.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylcyclohexan-1-amine
CID 112658500
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine
CID 112658395
1-(aminomethyl)-N-butan-2-yl-N,2-dimethylcyclopentan-1-amine
CID 65045613
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylcyclohexan-1-amine
CID 61453024
1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylcyclopentan-1-amine
CID 65045048
2-N-[1-(aminomethyl)-2-methylcyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188091
1-(aminomethyl)-N-cyclohexyl-N,2-dimethylcyclohexan-1-amine
CID 43409641
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-propan-2-ylcycloheptan-1-amine
CID 115985690
3-(aminomethyl)-N,2-dimethyl-N-pentan-3-ylthian-3-amine
CID 79956979
1-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 115985663
4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,1-dioxothian-4-amine
CID 112658472
1-(aminomethyl)-N,2-dimethyl-N-propylcyclopentan-1-amine
CID 65045561

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclohexan-1-amine (CID 112658341) is 1-(aminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclohexan-1-amine is CCC(CSC)N(C)C1(CN)CCCCC1C.
What is the InChIKey of 1-(aminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is SFWLQRYMIVBICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-5-13(10-17-4)16(3)14(11-15)9-7-6-8-12(14)2/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclohexan-1-amine?
1-(aminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 258.47 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 112658341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).