N-[2-(3-methylbutan-2-ylsulfanyl)propyl]pentan-2-amine

C13H29NS — CID 107757268

IUPACN-[2-(3-methylbutan-2-ylsulfanyl)propyl]pentan-2-amine
SMILESCCCC(C)NCC(C)SC(C)C(C)C
InChIInChI=1S/C13H29NS/c1-7-8-11(4)14-9-12(5)15-13(6)10(2)3/h10-14H,7-9H2,1-6H3
InChIKeyUSRICUYFCLUPFQ-UHFFFAOYSA-N
MW231.45 g/mol
LogP3.93
Rot. Bonds8

About N-[2-(3-methylbutan-2-ylsulfanyl)propyl]pentan-2-amine

N-[2-(3-methylbutan-2-ylsulfanyl)propyl]pentan-2-amine (PubChem CID 107757268) has the molecular formula C13H29NS and a molecular weight of 231.45 g/mol. Its IUPAC name is N-[2-(3-methylbutan-2-ylsulfanyl)propyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-(3-methylbutan-2-ylsulfanyl)propyl]pentan-2-amine
PubChem CID107757268
Molecular FormulaC13H29NS
Molecular Weight231.45 g/mol
Exact Mass231.20
IUPAC NameN-[2-(3-methylbutan-2-ylsulfanyl)propyl]pentan-2-amine
SMILESCCCC(C)NCC(C)SC(C)C(C)C
InChIInChI=1S/C13H29NS/c1-7-8-11(4)14-9-12(5)15-13(6)10(2)3/h10-14H,7-9H2,1-6H3
InChIKeyUSRICUYFCLUPFQ-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-N-pentan-2-ylbutane-1,2-diamine
CID 107886793
N-(2-cyclohexylsulfanylpropyl)pentan-2-amine
CID 62579529
1-N-pentan-2-yl-2-N-propan-2-ylpropane-1,2-diamine
CID 62570127
N-(2-propan-2-ylsulfonylpropyl)pentan-2-amine
CID 106513123
N-(2,2-dimethoxyethyl)pentan-2-amine
CID 60816170
N-(2-chlorobutyl)pentan-2-amine
CID 107887575
2-methyl-3-(pentan-2-ylamino)propan-1-ol
CID 65031909
1,1-difluoro-3-(pentan-2-ylamino)propan-2-ol
CID 103787947
N-methylpentan-2-amine;hydrochloride
CID 42919600
4-(3-methylbutan-2-ylsulfanyl)-N-propylbutan-2-amine
CID 107763350
N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pentan-2-amine
CID 62578294
(2S)-N-(2,3-dimethylbutyl)hexan-2-amine
CID 134386655

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutan-2-ylsulfanyl)propyl]pentan-2-amine?
The IUPAC name of N-[2-(3-methylbutan-2-ylsulfanyl)propyl]pentan-2-amine (CID 107757268) is N-[2-(3-methylbutan-2-ylsulfanyl)propyl]pentan-2-amine.
What is the SMILES notation for N-[2-(3-methylbutan-2-ylsulfanyl)propyl]pentan-2-amine?
The canonical SMILES for N-[2-(3-methylbutan-2-ylsulfanyl)propyl]pentan-2-amine is CCCC(C)NCC(C)SC(C)C(C)C.
What is the InChIKey of N-[2-(3-methylbutan-2-ylsulfanyl)propyl]pentan-2-amine?
The InChIKey is USRICUYFCLUPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NS/c1-7-8-11(4)14-9-12(5)15-13(6)10(2)3/h10-14H,7-9H2,1-6H3.
What are the key properties of N-[2-(3-methylbutan-2-ylsulfanyl)propyl]pentan-2-amine?
N-[2-(3-methylbutan-2-ylsulfanyl)propyl]pentan-2-amine has a molecular weight of 231.45 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutan-2-ylsulfanyl)propyl]pentan-2-amine is sourced from PubChem (CID 107757268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).