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

C15H24N2S — CID 64522871

IUPACN'-cyclopropyl-N'-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESc1csc(CCNCCN(CC2CC2)C2CC2)c1
InChIInChI=1S/C15H24N2S/c1-2-15(18-11-1)7-8-16-9-10-17(14-5-6-14)12-13-3-4-13/h1-2,11,13-14,16H,3-10,12H2
InChIKeyDHVXGOALTUHCAE-UHFFFAOYSA-N
MW264.44 g/mol
LogP2.75
Rot. Bonds9

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

N'-cyclopropyl-N'-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine (PubChem CID 64522871) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
PubChem CID64522871
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN'-cyclopropyl-N'-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESc1csc(CCNCCN(CC2CC2)C2CC2)c1
InChIInChI=1S/C15H24N2S/c1-2-15(18-11-1)7-8-16-9-10-17(14-5-6-14)12-13-3-4-13/h1-2,11,13-14,16H,3-10,12H2
InChIKeyDHVXGOALTUHCAE-UHFFFAOYSA-N
XLogP2.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556371
N'-cyclopropyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62556546
3-cyclopentyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 106010634
N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557593
N'-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557934
N'-cyclopropyl-N-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 55069331
N'-(cyclopropylmethyl)-N'-propyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62555373
N-butan-2-yl-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61449596
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79312516
N-(azetidin-3-ylmethyl)-2-thiophen-2-ylethanamine
CID 115207735
N,N-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrrolidin-3-amine
CID 63167356
N'-butyl-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62575943

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine (CID 64522871) is N'-cyclopropyl-N'-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine is c1csc(CCNCCN(CC2CC2)C2CC2)c1.
What is the InChIKey of N'-cyclopropyl-N'-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The InChIKey is DHVXGOALTUHCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-2-15(18-11-1)7-8-16-9-10-17(14-5-6-14)12-13-3-4-13/h1-2,11,13-14,16H,3-10,12H2.
What are the key properties of N'-cyclopropyl-N'-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
N'-cyclopropyl-N'-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine has a molecular weight of 264.44 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 64522871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).