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

C14H30N2S — CID 62871132

IUPAC3-(aminomethyl)-N,N-bis(2-methylpropyl)thian-3-amine
SMILESCC(C)CN(CC(C)C)C1(CN)CCCSC1
InChIInChI=1S/C14H30N2S/c1-12(2)8-16(9-13(3)4)14(10-15)6-5-7-17-11-14/h12-13H,5-11,15H2,1-4H3
InChIKeyWDGLXXQTXNZXGH-UHFFFAOYSA-N
MW258.47 g/mol
LogP2.82
Rot. Bonds6

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

3-(aminomethyl)-N,N-bis(2-methylpropyl)thian-3-amine (PubChem CID 62871132) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is 3-(aminomethyl)-N,N-bis(2-methylpropyl)thian-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,N-bis(2-methylpropyl)thian-3-amine
PubChem CID62871132
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC Name3-(aminomethyl)-N,N-bis(2-methylpropyl)thian-3-amine
SMILESCC(C)CN(CC(C)C)C1(CN)CCCSC1
InChIInChI=1S/C14H30N2S/c1-12(2)8-16(9-13(3)4)14(10-15)6-5-7-17-11-14/h12-13H,5-11,15H2,1-4H3
InChIKeyWDGLXXQTXNZXGH-UHFFFAOYSA-N
XLogP2.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 116535427
CID 116535428
CID 116535428
CID 59639414
CID 59639414
CID 61563056
CID 61563056
CID 69831404
CID 69831404
CID 134582849
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CID 145701266
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CID 156070387
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CID 166788230
CID 166788230

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,N-bis(2-methylpropyl)thian-3-amine?
The IUPAC name of 3-(aminomethyl)-N,N-bis(2-methylpropyl)thian-3-amine (CID 62871132) is 3-(aminomethyl)-N,N-bis(2-methylpropyl)thian-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N,N-bis(2-methylpropyl)thian-3-amine?
The canonical SMILES for 3-(aminomethyl)-N,N-bis(2-methylpropyl)thian-3-amine is CC(C)CN(CC(C)C)C1(CN)CCCSC1.
What is the InChIKey of 3-(aminomethyl)-N,N-bis(2-methylpropyl)thian-3-amine?
The InChIKey is WDGLXXQTXNZXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-12(2)8-16(9-13(3)4)14(10-15)6-5-7-17-11-14/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N,N-bis(2-methylpropyl)thian-3-amine?
3-(aminomethyl)-N,N-bis(2-methylpropyl)thian-3-amine has a molecular weight of 258.47 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,N-bis(2-methylpropyl)thian-3-amine is sourced from PubChem (CID 62871132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).