N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

C11H18N2S — CID 61151130

IUPACN-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESc1csc(CNCCNCC2CC2)c1
InChIInChI=1S/C11H18N2S/c1-2-11(14-7-1)9-13-6-5-12-8-10-3-4-10/h1-2,7,10,12-13H,3-6,8-9H2
InChIKeyPQCITBKMWJITHG-UHFFFAOYSA-N
MW210.35 g/mol
LogP1.84
Rot. Bonds7

About N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 61151130) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID61151130
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESc1csc(CNCCNCC2CC2)c1
InChIInChI=1S/C11H18N2S/c1-2-11(14-7-1)9-13-6-5-12-8-10-3-4-10/h1-2,7,10,12-13H,3-6,8-9H2
InChIKeyPQCITBKMWJITHG-UHFFFAOYSA-N
XLogP1.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 79072850
4-[(thiophen-2-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532069
N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 75525535
2-(azetidin-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 116679496
N'-(cyclopropylmethyl)-N'-propyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62555373
1-[2-(thiophen-2-ylmethylamino)ethylamino]propan-2-ol chloride
CID 53350890
N'-cyclopentyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 142036010
2-(cyclopropylmethylamino)-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687934
2-(thiophen-2-ylmethylamino)ethyl carbamate
CID 83211121
N-(azetidin-3-ylmethyl)-2-thiophen-2-ylethanamine
CID 115207735
tert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate
CID 71214616
1-(cyclopentylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47027615

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 61151130) is N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is c1csc(CNCCNCC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is PQCITBKMWJITHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-2-11(14-7-1)9-13-6-5-12-8-10-3-4-10/h1-2,7,10,12-13H,3-6,8-9H2.
What are the key properties of N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 210.35 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 61151130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).