4-(4-amino-3-methylcyclohexyl)sulfanyl-2-methylcyclohexan-1-amine

C14H28N2S — CID 67440325

IUPAC4-(4-amino-3-methylcyclohexyl)sulfanyl-2-methylcyclohexan-1-amine
SMILESCC1CC(SC2CCC(N)C(C)C2)CCC1N
InChIInChI=1S/C14H28N2S/c1-9-7-11(3-5-13(9)15)17-12-4-6-14(16)10(2)8-12/h9-14H,3-8,15-16H2,1-2H3
InChIKeyDPKRPGUBNJMIJJ-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.75
Rot. Bonds2

About 4-(4-amino-3-methylcyclohexyl)sulfanyl-2-methylcyclohexan-1-amine

4-(4-amino-3-methylcyclohexyl)sulfanyl-2-methylcyclohexan-1-amine (PubChem CID 67440325) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 4-(4-amino-3-methylcyclohexyl)sulfanyl-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-amino-3-methylcyclohexyl)sulfanyl-2-methylcyclohexan-1-amine
PubChem CID67440325
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name4-(4-amino-3-methylcyclohexyl)sulfanyl-2-methylcyclohexan-1-amine
SMILESCC1CC(SC2CCC(N)C(C)C2)CCC1N
InChIInChI=1S/C14H28N2S/c1-9-7-11(3-5-13(9)15)17-12-4-6-14(16)10(2)8-12/h9-14H,3-8,15-16H2,1-2H3
InChIKeyDPKRPGUBNJMIJJ-UHFFFAOYSA-N
XLogP2.75
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methylcyclohexyl)sulfanyl-2-methylcyclohexan-1-amine?
The IUPAC name of 4-(4-amino-3-methylcyclohexyl)sulfanyl-2-methylcyclohexan-1-amine (CID 67440325) is 4-(4-amino-3-methylcyclohexyl)sulfanyl-2-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(4-amino-3-methylcyclohexyl)sulfanyl-2-methylcyclohexan-1-amine?
The canonical SMILES for 4-(4-amino-3-methylcyclohexyl)sulfanyl-2-methylcyclohexan-1-amine is CC1CC(SC2CCC(N)C(C)C2)CCC1N.
What is the InChIKey of 4-(4-amino-3-methylcyclohexyl)sulfanyl-2-methylcyclohexan-1-amine?
The InChIKey is DPKRPGUBNJMIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-9-7-11(3-5-13(9)15)17-12-4-6-14(16)10(2)8-12/h9-14H,3-8,15-16H2,1-2H3.
What are the key properties of 4-(4-amino-3-methylcyclohexyl)sulfanyl-2-methylcyclohexan-1-amine?
4-(4-amino-3-methylcyclohexyl)sulfanyl-2-methylcyclohexan-1-amine has a molecular weight of 256.46 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methylcyclohexyl)sulfanyl-2-methylcyclohexan-1-amine is sourced from PubChem (CID 67440325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).