N,N-dimethyl-2-[4-methyl-1-(4-methylcyclohexyl)pentan-3-yl]sulfanylethanamine

C17H35NS — CID 163268442

IUPACN,N-dimethyl-2-[4-methyl-1-(4-methylcyclohexyl)pentan-3-yl]sulfanylethanamine
SMILESCC1CCC(CCC(SCCN(C)C)C(C)C)CC1
InChIInChI=1S/C17H35NS/c1-14(2)17(19-13-12-18(4)5)11-10-16-8-6-15(3)7-9-16/h14-17H,6-13H2,1-5H3
InChIKeyNJICQYBEMPAQDZ-UHFFFAOYSA-N
MW285.54 g/mol
LogP4.91
Rot. Bonds8

About N,N-dimethyl-2-[4-methyl-1-(4-methylcyclohexyl)pentan-3-yl]sulfanylethanamine

N,N-dimethyl-2-[4-methyl-1-(4-methylcyclohexyl)pentan-3-yl]sulfanylethanamine (PubChem CID 163268442) has the molecular formula C17H35NS and a molecular weight of 285.54 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-methyl-1-(4-methylcyclohexyl)pentan-3-yl]sulfanylethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-methyl-1-(4-methylcyclohexyl)pentan-3-yl]sulfanylethanamine
PubChem CID163268442
Molecular FormulaC17H35NS
Molecular Weight285.54 g/mol
Exact Mass285.25
IUPAC NameN,N-dimethyl-2-[4-methyl-1-(4-methylcyclohexyl)pentan-3-yl]sulfanylethanamine
SMILESCC1CCC(CCC(SCCN(C)C)C(C)C)CC1
InChIInChI=1S/C17H35NS/c1-14(2)17(19-13-12-18(4)5)11-10-16-8-6-15(3)7-9-16/h14-17H,6-13H2,1-5H3
InChIKeyNJICQYBEMPAQDZ-UHFFFAOYSA-N
XLogP4.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.54
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-methyl-1-(4-methylcyclohexyl)pentan-3-yl]sulfanylethanamine?
The IUPAC name of N,N-dimethyl-2-[4-methyl-1-(4-methylcyclohexyl)pentan-3-yl]sulfanylethanamine (CID 163268442) is N,N-dimethyl-2-[4-methyl-1-(4-methylcyclohexyl)pentan-3-yl]sulfanylethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-methyl-1-(4-methylcyclohexyl)pentan-3-yl]sulfanylethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-methyl-1-(4-methylcyclohexyl)pentan-3-yl]sulfanylethanamine is CC1CCC(CCC(SCCN(C)C)C(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-methyl-1-(4-methylcyclohexyl)pentan-3-yl]sulfanylethanamine?
The InChIKey is NJICQYBEMPAQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NS/c1-14(2)17(19-13-12-18(4)5)11-10-16-8-6-15(3)7-9-16/h14-17H,6-13H2,1-5H3.
What are the key properties of N,N-dimethyl-2-[4-methyl-1-(4-methylcyclohexyl)pentan-3-yl]sulfanylethanamine?
N,N-dimethyl-2-[4-methyl-1-(4-methylcyclohexyl)pentan-3-yl]sulfanylethanamine has a molecular weight of 285.54 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-methyl-1-(4-methylcyclohexyl)pentan-3-yl]sulfanylethanamine is sourced from PubChem (CID 163268442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).