N-propan-2-yl-N-(2-propan-2-ylsulfanylethyl)butan-1-amine

C12H27NS — CID 126603691

IUPACN-propan-2-yl-N-(2-propan-2-ylsulfanylethyl)butan-1-amine
SMILESCCCCN(CCSC(C)C)C(C)C
InChIInChI=1S/C12H27NS/c1-6-7-8-13(11(2)3)9-10-14-12(4)5/h11-12H,6-10H2,1-5H3
InChIKeyXAIMKXPARCOBBT-UHFFFAOYSA-N
MW217.42 g/mol
LogP3.64
Rot. Bonds8

About N-propan-2-yl-N-(2-propan-2-ylsulfanylethyl)butan-1-amine

N-propan-2-yl-N-(2-propan-2-ylsulfanylethyl)butan-1-amine (PubChem CID 126603691) has the molecular formula C12H27NS and a molecular weight of 217.42 g/mol. Its IUPAC name is N-propan-2-yl-N-(2-propan-2-ylsulfanylethyl)butan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-(2-propan-2-ylsulfanylethyl)butan-1-amine
PubChem CID126603691
Molecular FormulaC12H27NS
Molecular Weight217.42 g/mol
Exact Mass217.19
IUPAC NameN-propan-2-yl-N-(2-propan-2-ylsulfanylethyl)butan-1-amine
SMILESCCCCN(CCSC(C)C)C(C)C
InChIInChI=1S/C12H27NS/c1-6-7-8-13(11(2)3)9-10-14-12(4)5/h11-12H,6-10H2,1-5H3
InChIKeyXAIMKXPARCOBBT-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(2-propan-2-ylsulfanylethyl)butan-1-amine?
The IUPAC name of N-propan-2-yl-N-(2-propan-2-ylsulfanylethyl)butan-1-amine (CID 126603691) is N-propan-2-yl-N-(2-propan-2-ylsulfanylethyl)butan-1-amine.
What is the SMILES notation for N-propan-2-yl-N-(2-propan-2-ylsulfanylethyl)butan-1-amine?
The canonical SMILES for N-propan-2-yl-N-(2-propan-2-ylsulfanylethyl)butan-1-amine is CCCCN(CCSC(C)C)C(C)C.
What is the InChIKey of N-propan-2-yl-N-(2-propan-2-ylsulfanylethyl)butan-1-amine?
The InChIKey is XAIMKXPARCOBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NS/c1-6-7-8-13(11(2)3)9-10-14-12(4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of N-propan-2-yl-N-(2-propan-2-ylsulfanylethyl)butan-1-amine?
N-propan-2-yl-N-(2-propan-2-ylsulfanylethyl)butan-1-amine has a molecular weight of 217.42 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(2-propan-2-ylsulfanylethyl)butan-1-amine is sourced from PubChem (CID 126603691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).