N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine

C17H29NS — CID 83160945

IUPACN-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine
SMILESCCNC(CCCC(C)C)CSc1cccc(C)c1
InChIInChI=1S/C17H29NS/c1-5-18-16(10-6-8-14(2)3)13-19-17-11-7-9-15(4)12-17/h7,9,11-12,14,16,18H,5-6,8,10,13H2,1-4H3
InChIKeyBMPDZMMWBUCUCU-UHFFFAOYSA-N
MW279.49 g/mol
LogP4.89
Rot. Bonds9

About N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine

N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine (PubChem CID 83160945) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine
PubChem CID83160945
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC NameN-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine
SMILESCCNC(CCCC(C)C)CSc1cccc(C)c1
InChIInChI=1S/C17H29NS/c1-5-18-16(10-6-8-14(2)3)13-19-17-11-7-9-15(4)12-17/h7,9,11-12,14,16,18H,5-6,8,10,13H2,1-4H3
InChIKeyBMPDZMMWBUCUCU-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.49
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-methylphenyl)sulfanylhept-6-en-2-amine
CID 66087975
N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine
CID 64626488
N-ethyl-1-(3-methylphenyl)sulfanylnon-8-en-2-amine
CID 107009294
1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine
CID 66086046
N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine
CID 64628097
N-ethyl-1-(3-methylphenyl)sulfanylpent-4-yn-2-amine
CID 66088364
N-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087202
1-cyclobutyl-N-ethyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087783
1-(4-chlorophenyl)sulfanyl-N-ethyl-6-methylheptan-2-amine
CID 83162227
N-methyl-1-(3-methylphenyl)sulfanylpentan-2-amine
CID 64626090
N-ethyl-1-(3-methylphenyl)sulfanyl-3-propoxypropan-2-amine
CID 79575255
N-ethyl-1-(3-methylphenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 66087004

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine?
The IUPAC name of N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine (CID 83160945) is N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine.
What is the SMILES notation for N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine?
The canonical SMILES for N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine is CCNC(CCCC(C)C)CSc1cccc(C)c1.
What is the InChIKey of N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine?
The InChIKey is BMPDZMMWBUCUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-5-18-16(10-6-8-14(2)3)13-19-17-11-7-9-15(4)12-17/h7,9,11-12,14,16,18H,5-6,8,10,13H2,1-4H3.
What are the key properties of N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine?
N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine has a molecular weight of 279.49 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine is sourced from PubChem (CID 83160945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).