3-(aminomethyl)-N,4,4-trimethyl-N-pentan-2-ylthian-3-amine

C14H30N2S — CID 79948724

IUPAC3-(aminomethyl)-N,4,4-trimethyl-N-pentan-2-ylthian-3-amine
SMILESCCCC(C)N(C)C1(CN)CSCCC1(C)C
InChIInChI=1S/C14H30N2S/c1-6-7-12(2)16(5)14(10-15)11-17-9-8-13(14,3)4/h12H,6-11,15H2,1-5H3
InChIKeyVRIRRFZKJRQTBK-UHFFFAOYSA-N
MW258.47 g/mol
LogP2.97
Rot. Bonds5

About 3-(aminomethyl)-N,4,4-trimethyl-N-pentan-2-ylthian-3-amine

3-(aminomethyl)-N,4,4-trimethyl-N-pentan-2-ylthian-3-amine (PubChem CID 79948724) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is 3-(aminomethyl)-N,4,4-trimethyl-N-pentan-2-ylthian-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,4,4-trimethyl-N-pentan-2-ylthian-3-amine
PubChem CID79948724
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC Name3-(aminomethyl)-N,4,4-trimethyl-N-pentan-2-ylthian-3-amine
SMILESCCCC(C)N(C)C1(CN)CSCCC1(C)C
InChIInChI=1S/C14H30N2S/c1-6-7-12(2)16(5)14(10-15)11-17-9-8-13(14,3)4/h12H,6-11,15H2,1-5H3
InChIKeyVRIRRFZKJRQTBK-UHFFFAOYSA-N
XLogP2.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-methyl-N-pentan-2-ylthiolan-3-amine
CID 43571900
1-(aminomethyl)-N,2,2-trimethyl-N-pentan-2-ylcyclohexan-1-amine
CID 79836995
3-(aminomethyl)-N-cyclopropyl-4,4-dimethyl-N-(3-methylbutyl)thian-3-amine
CID 79948217
3-(aminomethyl)-N,4,4-trimethyl-N-[(2-methylcyclopropyl)methyl]thian-3-amine
CID 79948992
3-(aminomethyl)-N-ethyl-4,4-dimethyl-N-phenylthian-3-amine
CID 79948464
3-(aminomethyl)-4,4-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine
CID 79947969
3-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,4,4-trimethylthian-3-amine
CID 79949070
3-(aminomethyl)-N-methyl-N-(2-methylbutyl)thiolan-3-amine
CID 43295596
1-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylcyclopentan-1-amine
CID 64501372
1-(aminomethyl)-2,2-dimethyl-N-propan-2-yl-N-propylcyclopentan-1-amine
CID 79857560
(3-propan-2-ylthiolan-3-yl)methanamine
CID 83815681
1-(aminomethyl)-4-methoxy-N-methyl-N-pentan-2-ylcyclohexan-1-amine
CID 113414453

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,4,4-trimethyl-N-pentan-2-ylthian-3-amine?
The IUPAC name of 3-(aminomethyl)-N,4,4-trimethyl-N-pentan-2-ylthian-3-amine (CID 79948724) is 3-(aminomethyl)-N,4,4-trimethyl-N-pentan-2-ylthian-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N,4,4-trimethyl-N-pentan-2-ylthian-3-amine?
The canonical SMILES for 3-(aminomethyl)-N,4,4-trimethyl-N-pentan-2-ylthian-3-amine is CCCC(C)N(C)C1(CN)CSCCC1(C)C.
What is the InChIKey of 3-(aminomethyl)-N,4,4-trimethyl-N-pentan-2-ylthian-3-amine?
The InChIKey is VRIRRFZKJRQTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-6-7-12(2)16(5)14(10-15)11-17-9-8-13(14,3)4/h12H,6-11,15H2,1-5H3.
What are the key properties of 3-(aminomethyl)-N,4,4-trimethyl-N-pentan-2-ylthian-3-amine?
3-(aminomethyl)-N,4,4-trimethyl-N-pentan-2-ylthian-3-amine has a molecular weight of 258.47 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,4,4-trimethyl-N-pentan-2-ylthian-3-amine is sourced from PubChem (CID 79948724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).