N'-ethyl-2,2-dimethyl-N'-(thian-3-yl)propane-1,3-diamine

C12H26N2S — CID 79660758

IUPACN'-ethyl-2,2-dimethyl-N'-(thian-3-yl)propane-1,3-diamine
SMILESCCN(CC(C)(C)CN)C1CCCSC1
InChIInChI=1S/C12H26N2S/c1-4-14(10-12(2,3)9-13)11-6-5-7-15-8-11/h11H,4-10,13H2,1-3H3
InChIKeyKXIODKNSSJJLRZ-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.19
Rot. Bonds5

About N'-ethyl-2,2-dimethyl-N'-(thian-3-yl)propane-1,3-diamine

N'-ethyl-2,2-dimethyl-N'-(thian-3-yl)propane-1,3-diamine (PubChem CID 79660758) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is N'-ethyl-2,2-dimethyl-N'-(thian-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2,2-dimethyl-N'-(thian-3-yl)propane-1,3-diamine
PubChem CID79660758
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC NameN'-ethyl-2,2-dimethyl-N'-(thian-3-yl)propane-1,3-diamine
SMILESCCN(CC(C)(C)CN)C1CCCSC1
InChIInChI=1S/C12H26N2S/c1-4-14(10-12(2,3)9-13)11-6-5-7-15-8-11/h11H,4-10,13H2,1-3H3
InChIKeyKXIODKNSSJJLRZ-UHFFFAOYSA-N
XLogP2.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopropyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 62264209
N'-(4,4-dimethylcycloheptyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660402
N'-cyclobutyl-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668549
N'-ethyl-2,2-dimethyl-N'-(1-propylazepan-4-yl)propane-1,3-diamine
CID 79660581
N'-ethyl-2,2-dimethyl-N'-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 79902523
N'-ethyl-2,2-dimethyl-N'-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propane-1,3-diamine
CID 79901501
3-[ethyl(thian-3-yl)amino]-2-methylpropanoic acid
CID 65062096
2-methyl-2-(thian-3-yl)propan-1-amine
CID 117104704
N-ethyl-N-propan-2-ylthian-3-amine
CID 127009584
N'-ethyl-2,2-dimethyl-N'-(1-phenylpiperidin-4-yl)propane-1,3-diamine
CID 106820709
2-[tert-butyl(thian-3-yl)amino]acetic acid
CID 79269334
N-(3-amino-2,2-dimethylpropyl)-N-ethylthiolane-2-carboxamide
CID 79668560

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2,2-dimethyl-N'-(thian-3-yl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-2,2-dimethyl-N'-(thian-3-yl)propane-1,3-diamine (CID 79660758) is N'-ethyl-2,2-dimethyl-N'-(thian-3-yl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2,2-dimethyl-N'-(thian-3-yl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2,2-dimethyl-N'-(thian-3-yl)propane-1,3-diamine is CCN(CC(C)(C)CN)C1CCCSC1.
What is the InChIKey of N'-ethyl-2,2-dimethyl-N'-(thian-3-yl)propane-1,3-diamine?
The InChIKey is KXIODKNSSJJLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-4-14(10-12(2,3)9-13)11-6-5-7-15-8-11/h11H,4-10,13H2,1-3H3.
What are the key properties of N'-ethyl-2,2-dimethyl-N'-(thian-3-yl)propane-1,3-diamine?
N'-ethyl-2,2-dimethyl-N'-(thian-3-yl)propane-1,3-diamine has a molecular weight of 230.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2,2-dimethyl-N'-(thian-3-yl)propane-1,3-diamine is sourced from PubChem (CID 79660758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).