2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine

C11H20N2S — CID 65379566

IUPAC2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
SMILESCCCCC(CN)NCc1cccs1
InChIInChI=1S/C11H20N2S/c1-2-3-5-10(8-12)13-9-11-6-4-7-14-11/h4,6-7,10,13H,2-3,5,8-9,12H2,1H3
InChIKeyQHYDEAJRPGFAKN-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.36
Rot. Bonds7

About 2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine

2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine (PubChem CID 65379566) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
PubChem CID65379566
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
SMILESCCCCC(CN)NCc1cccs1
InChIInChI=1S/C11H20N2S/c1-2-3-5-10(8-12)13-9-11-6-4-7-14-11/h4,6-7,10,13H,2-3,5,8-9,12H2,1H3
InChIKeyQHYDEAJRPGFAKN-UHFFFAOYSA-N
XLogP2.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-benzylhexane-1,2-diamine
CID 65385282
ethyl 2-(thiophen-2-ylmethylamino)hexanoate
CID 61353160
4-methoxy-4-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 106675725
4-phenyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 65381961
N-(thiophen-2-ylmethyl)oct-7-en-4-amine
CID 115706740
ethyl 2-(thiophen-2-ylmethylamino)heptanoate
CID 54895021
ethyl 2-(thiophen-2-ylmethylamino)nonanoate
CID 63523767
1-(5-ethylthiophen-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65380761
(2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine
CID 95366277
1-thiophen-2-yltetradecan-4-ylhydrazine
CID 105298385
N-methyl-1-thiophen-2-yltetradecan-2-amine
CID 63416157
2-methyl-2-N-(thiophen-2-ylmethyl)heptane-1,2-diamine
CID 80557369

Frequently Asked Questions

What is the IUPAC name of 2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine?
The IUPAC name of 2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine (CID 65379566) is 2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine.
What is the SMILES notation for 2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine?
The canonical SMILES for 2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine is CCCCC(CN)NCc1cccs1.
What is the InChIKey of 2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine?
The InChIKey is QHYDEAJRPGFAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-2-3-5-10(8-12)13-9-11-6-4-7-14-11/h4,6-7,10,13H,2-3,5,8-9,12H2,1H3.
What are the key properties of 2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine?
2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine has a molecular weight of 212.36 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine is sourced from PubChem (CID 65379566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).