N-butan-2-yl-N-[1-[di(butan-2-yl)amino]sulfanylethylsulfanyl]butan-2-amine

C18H40N2S2 — CID 130248140

IUPACN-butan-2-yl-N-[1-[di(butan-2-yl)amino]sulfanylethylsulfanyl]butan-2-amine
SMILESCCC(C)N(SC(C)SN(C(C)CC)C(C)CC)C(C)CC
InChIInChI=1S/C18H40N2S2/c1-10-14(5)19(15(6)11-2)21-18(9)22-20(16(7)12-3)17(8)13-4/h14-18H,10-13H2,1-9H3
InChIKeyAMAWBFNNNZYMHX-UHFFFAOYSA-N
MW348.67 g/mol
LogP6.43
Rot. Bonds12

About N-butan-2-yl-N-[1-[di(butan-2-yl)amino]sulfanylethylsulfanyl]butan-2-amine

N-butan-2-yl-N-[1-[di(butan-2-yl)amino]sulfanylethylsulfanyl]butan-2-amine (PubChem CID 130248140) has the molecular formula C18H40N2S2 and a molecular weight of 348.67 g/mol. Its IUPAC name is N-butan-2-yl-N-[1-[di(butan-2-yl)amino]sulfanylethylsulfanyl]butan-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-[1-[di(butan-2-yl)amino]sulfanylethylsulfanyl]butan-2-amine
PubChem CID130248140
Molecular FormulaC18H40N2S2
Molecular Weight348.67 g/mol
Exact Mass348.26
IUPAC NameN-butan-2-yl-N-[1-[di(butan-2-yl)amino]sulfanylethylsulfanyl]butan-2-amine
SMILESCCC(C)N(SC(C)SN(C(C)CC)C(C)CC)C(C)CC
InChIInChI=1S/C18H40N2S2/c1-10-14(5)19(15(6)11-2)21-18(9)22-20(16(7)12-3)17(8)13-4/h14-18H,10-13H2,1-9H3
InChIKeyAMAWBFNNNZYMHX-UHFFFAOYSA-N
XLogP6.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.67
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(dipropylamino)sulfanylethylsulfanyl]-N-propylpropan-1-amine
CID 130411545
N-methyl-N-methylsulfanylbutan-2-amine
CID 123569080
2-[butan-2-yl(propan-2-yl)amino]sulfanylethanethiol
CID 130246819
N-[2-[butan-2-yl(methyl)amino]sulfanylethylsulfanyl]-N-methylbutan-2-amine
CID 130249112
N,N-dipropylbutan-2-amine
CID 524229
N-butan-2-yl-N-[di(butan-2-yl)amino]silylsilylbutan-2-amine
CID 123473093
di(butan-2-yl)sulfamic acid
CID 156663387
2-methylbutane
CID 158117812
2-methylbutane
CID 159175971
bis(2-methanidylbutane);tungsten;tungsten(2+)
CID 157130692
2-methanidylbutane;rutherfordium
CID 58583664
[butan-2-yl(propan-2-yl)amino]azanide
CID 163691256

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[1-[di(butan-2-yl)amino]sulfanylethylsulfanyl]butan-2-amine?
The IUPAC name of N-butan-2-yl-N-[1-[di(butan-2-yl)amino]sulfanylethylsulfanyl]butan-2-amine (CID 130248140) is N-butan-2-yl-N-[1-[di(butan-2-yl)amino]sulfanylethylsulfanyl]butan-2-amine.
What is the SMILES notation for N-butan-2-yl-N-[1-[di(butan-2-yl)amino]sulfanylethylsulfanyl]butan-2-amine?
The canonical SMILES for N-butan-2-yl-N-[1-[di(butan-2-yl)amino]sulfanylethylsulfanyl]butan-2-amine is CCC(C)N(SC(C)SN(C(C)CC)C(C)CC)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-[1-[di(butan-2-yl)amino]sulfanylethylsulfanyl]butan-2-amine?
The InChIKey is AMAWBFNNNZYMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2S2/c1-10-14(5)19(15(6)11-2)21-18(9)22-20(16(7)12-3)17(8)13-4/h14-18H,10-13H2,1-9H3.
What are the key properties of N-butan-2-yl-N-[1-[di(butan-2-yl)amino]sulfanylethylsulfanyl]butan-2-amine?
N-butan-2-yl-N-[1-[di(butan-2-yl)amino]sulfanylethylsulfanyl]butan-2-amine has a molecular weight of 348.67 g/mol, XLogP of 6.43, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[1-[di(butan-2-yl)amino]sulfanylethylsulfanyl]butan-2-amine is sourced from PubChem (CID 130248140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).