N-[dihydroxy(7-methyloct-7-en-4-yl)-λ4-sulfanyl]-N-ethylpropan-2-amine

C14H31NO2S — CID 123969566

IUPACN-[dihydroxy(7-methyloct-7-en-4-yl)-λ4-sulfanyl]-N-ethylpropan-2-amine
SMILESC=C(C)CCC(CCC)S(O)(O)N(CC)C(C)C
InChIInChI=1S/C14H31NO2S/c1-7-9-14(11-10-12(3)4)18(16,17)15(8-2)13(5)6/h13-14,16-17H,3,7-11H2,1-2,4-6H3
InChIKeyRZPJRPQNCJCNAQ-UHFFFAOYSA-N
MW277.47 g/mol
LogP4.91
Rot. Bonds9

About N-[dihydroxy(7-methyloct-7-en-4-yl)-λ4-sulfanyl]-N-ethylpropan-2-amine

N-[dihydroxy(7-methyloct-7-en-4-yl)-λ4-sulfanyl]-N-ethylpropan-2-amine (PubChem CID 123969566) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is N-[dihydroxy(7-methyloct-7-en-4-yl)-λ4-sulfanyl]-N-ethylpropan-2-amine.

Molecular Properties

Compound NameN-[dihydroxy(7-methyloct-7-en-4-yl)-λ4-sulfanyl]-N-ethylpropan-2-amine
PubChem CID123969566
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC NameN-[dihydroxy(7-methyloct-7-en-4-yl)-λ4-sulfanyl]-N-ethylpropan-2-amine
SMILESC=C(C)CCC(CCC)S(O)(O)N(CC)C(C)C
InChIInChI=1S/C14H31NO2S/c1-7-9-14(11-10-12(3)4)18(16,17)15(8-2)13(5)6/h13-14,16-17H,3,7-11H2,1-2,4-6H3
InChIKeyRZPJRPQNCJCNAQ-UHFFFAOYSA-N
XLogP4.91
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.47
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methylhexane;2-methylprop-1-ene
CID 165405684
N-ethyl-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)pentan-1-amine
CID 142446187
6-methoxy-2-methylnon-1-en-5-ol
CID 114474042
2,11-dimethylnonadec-1-ene
CID 123484198
2,7-dimethylnon-1-ene
CID 123682074
(2S)-2,5-dimethylhex-5-enoic acid
CID 94864508
N-ethyl-N-(trimethyl-λ4-sulfanyl)propan-2-amine
CID 164554404
2,4-dimethylnon-1-ene
CID 55268908
2,5-dimethylhex-5-ene-1,1-diol
CID 88503199
methane;hexakis(2-methylpent-1-ene)
CID 175346690
5-ethyl-2-methylnon-1-ene
CID 23205953
8-methylnon-8-en-4-amine
CID 79185360

Frequently Asked Questions

What is the IUPAC name of N-[dihydroxy(7-methyloct-7-en-4-yl)-λ4-sulfanyl]-N-ethylpropan-2-amine?
The IUPAC name of N-[dihydroxy(7-methyloct-7-en-4-yl)-λ4-sulfanyl]-N-ethylpropan-2-amine (CID 123969566) is N-[dihydroxy(7-methyloct-7-en-4-yl)-λ4-sulfanyl]-N-ethylpropan-2-amine.
What is the SMILES notation for N-[dihydroxy(7-methyloct-7-en-4-yl)-λ4-sulfanyl]-N-ethylpropan-2-amine?
The canonical SMILES for N-[dihydroxy(7-methyloct-7-en-4-yl)-λ4-sulfanyl]-N-ethylpropan-2-amine is C=C(C)CCC(CCC)S(O)(O)N(CC)C(C)C.
What is the InChIKey of N-[dihydroxy(7-methyloct-7-en-4-yl)-λ4-sulfanyl]-N-ethylpropan-2-amine?
The InChIKey is RZPJRPQNCJCNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2S/c1-7-9-14(11-10-12(3)4)18(16,17)15(8-2)13(5)6/h13-14,16-17H,3,7-11H2,1-2,4-6H3.
What are the key properties of N-[dihydroxy(7-methyloct-7-en-4-yl)-λ4-sulfanyl]-N-ethylpropan-2-amine?
N-[dihydroxy(7-methyloct-7-en-4-yl)-λ4-sulfanyl]-N-ethylpropan-2-amine has a molecular weight of 277.47 g/mol, XLogP of 4.91, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dihydroxy(7-methyloct-7-en-4-yl)-λ4-sulfanyl]-N-ethylpropan-2-amine is sourced from PubChem (CID 123969566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).