N-[(1,2,3-trimethylcyclopropyl)methyl]-4-(trimethyl-λ4-sulfanyl)pentan-2-amine

C15H33NS — CID 123360527

IUPACN-[(1,2,3-trimethylcyclopropyl)methyl]-4-(trimethyl-λ4-sulfanyl)pentan-2-amine
SMILESCC(CC(C)S(C)(C)C)NCC1(C)C(C)C1C
InChIInChI=1S/C15H33NS/c1-11(9-12(2)17(6,7)8)16-10-15(5)13(3)14(15)4/h11-14,16H,9-10H2,1-8H3
InChIKeyZVLNVIQCRSVSGB-UHFFFAOYSA-N
MW259.50 g/mol
LogP3.73
Rot. Bonds6

About N-[(1,2,3-trimethylcyclopropyl)methyl]-4-(trimethyl-λ4-sulfanyl)pentan-2-amine

N-[(1,2,3-trimethylcyclopropyl)methyl]-4-(trimethyl-λ4-sulfanyl)pentan-2-amine (PubChem CID 123360527) has the molecular formula C15H33NS and a molecular weight of 259.50 g/mol. Its IUPAC name is N-[(1,2,3-trimethylcyclopropyl)methyl]-4-(trimethyl-λ4-sulfanyl)pentan-2-amine.

Molecular Properties

Compound NameN-[(1,2,3-trimethylcyclopropyl)methyl]-4-(trimethyl-λ4-sulfanyl)pentan-2-amine
PubChem CID123360527
Molecular FormulaC15H33NS
Molecular Weight259.50 g/mol
Exact Mass259.23
IUPAC NameN-[(1,2,3-trimethylcyclopropyl)methyl]-4-(trimethyl-λ4-sulfanyl)pentan-2-amine
SMILESCC(CC(C)S(C)(C)C)NCC1(C)C(C)C1C
InChIInChI=1S/C15H33NS/c1-11(9-12(2)17(6,7)8)16-10-15(5)13(3)14(15)4/h11-14,16H,9-10H2,1-8H3
InChIKeyZVLNVIQCRSVSGB-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.50
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1,2,3-trimethylcyclopropyl)methyl]-4-(trimethyl-λ4-sulfanyl)pentan-2-amine?
The IUPAC name of N-[(1,2,3-trimethylcyclopropyl)methyl]-4-(trimethyl-λ4-sulfanyl)pentan-2-amine (CID 123360527) is N-[(1,2,3-trimethylcyclopropyl)methyl]-4-(trimethyl-λ4-sulfanyl)pentan-2-amine.
What is the SMILES notation for N-[(1,2,3-trimethylcyclopropyl)methyl]-4-(trimethyl-λ4-sulfanyl)pentan-2-amine?
The canonical SMILES for N-[(1,2,3-trimethylcyclopropyl)methyl]-4-(trimethyl-λ4-sulfanyl)pentan-2-amine is CC(CC(C)S(C)(C)C)NCC1(C)C(C)C1C.
What is the InChIKey of N-[(1,2,3-trimethylcyclopropyl)methyl]-4-(trimethyl-λ4-sulfanyl)pentan-2-amine?
The InChIKey is ZVLNVIQCRSVSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NS/c1-11(9-12(2)17(6,7)8)16-10-15(5)13(3)14(15)4/h11-14,16H,9-10H2,1-8H3.
What are the key properties of N-[(1,2,3-trimethylcyclopropyl)methyl]-4-(trimethyl-λ4-sulfanyl)pentan-2-amine?
N-[(1,2,3-trimethylcyclopropyl)methyl]-4-(trimethyl-λ4-sulfanyl)pentan-2-amine has a molecular weight of 259.50 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2,3-trimethylcyclopropyl)methyl]-4-(trimethyl-λ4-sulfanyl)pentan-2-amine is sourced from PubChem (CID 123360527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).