3-(aminomethyl)-2-methyl-N,N-bis(2-methylpropyl)thian-3-amine

C15H32N2S — CID 79951219

IUPAC3-(aminomethyl)-2-methyl-N,N-bis(2-methylpropyl)thian-3-amine
SMILESCC(C)CN(CC(C)C)C1(CN)CCCSC1C
InChIInChI=1S/C15H32N2S/c1-12(2)9-17(10-13(3)4)15(11-16)7-6-8-18-14(15)5/h12-14H,6-11,16H2,1-5H3
InChIKeySEDDLBQKQCTRBU-UHFFFAOYSA-N
MW272.50 g/mol
LogP3.21
Rot. Bonds6

About 3-(aminomethyl)-2-methyl-N,N-bis(2-methylpropyl)thian-3-amine

3-(aminomethyl)-2-methyl-N,N-bis(2-methylpropyl)thian-3-amine (PubChem CID 79951219) has the molecular formula C15H32N2S and a molecular weight of 272.50 g/mol. Its IUPAC name is 3-(aminomethyl)-2-methyl-N,N-bis(2-methylpropyl)thian-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-2-methyl-N,N-bis(2-methylpropyl)thian-3-amine
PubChem CID79951219
Molecular FormulaC15H32N2S
Molecular Weight272.50 g/mol
Exact Mass272.23
IUPAC Name3-(aminomethyl)-2-methyl-N,N-bis(2-methylpropyl)thian-3-amine
SMILESCC(C)CN(CC(C)C)C1(CN)CCCSC1C
InChIInChI=1S/C15H32N2S/c1-12(2)9-17(10-13(3)4)15(11-16)7-6-8-18-14(15)5/h12-14H,6-11,16H2,1-5H3
InChIKeySEDDLBQKQCTRBU-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-methyl-N,N-bis(2-methylpropyl)thian-3-amine?
The IUPAC name of 3-(aminomethyl)-2-methyl-N,N-bis(2-methylpropyl)thian-3-amine (CID 79951219) is 3-(aminomethyl)-2-methyl-N,N-bis(2-methylpropyl)thian-3-amine.
What is the SMILES notation for 3-(aminomethyl)-2-methyl-N,N-bis(2-methylpropyl)thian-3-amine?
The canonical SMILES for 3-(aminomethyl)-2-methyl-N,N-bis(2-methylpropyl)thian-3-amine is CC(C)CN(CC(C)C)C1(CN)CCCSC1C.
What is the InChIKey of 3-(aminomethyl)-2-methyl-N,N-bis(2-methylpropyl)thian-3-amine?
The InChIKey is SEDDLBQKQCTRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2S/c1-12(2)9-17(10-13(3)4)15(11-16)7-6-8-18-14(15)5/h12-14H,6-11,16H2,1-5H3.
What are the key properties of 3-(aminomethyl)-2-methyl-N,N-bis(2-methylpropyl)thian-3-amine?
3-(aminomethyl)-2-methyl-N,N-bis(2-methylpropyl)thian-3-amine has a molecular weight of 272.50 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2-methyl-N,N-bis(2-methylpropyl)thian-3-amine is sourced from PubChem (CID 79951219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).