N'-cyclopropyl-N-(pyridin-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine

C16H21N3S — CID 62555085

IUPACN'-cyclopropyl-N-(pyridin-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESc1cncc(CNCCN(Cc2ccsc2)C2CC2)c1
InChIInChI=1S/C16H21N3S/c1-2-14(10-17-6-1)11-18-7-8-19(16-3-4-16)12-15-5-9-20-13-15/h1-2,5-6,9-10,13,16,18H,3-4,7-8,11-12H2
InChIKeyYLNSEGVAVFQCMS-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.90
Rot. Bonds8

About N'-cyclopropyl-N-(pyridin-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine

N'-cyclopropyl-N-(pyridin-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine (PubChem CID 62555085) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N'-cyclopropyl-N-(pyridin-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-(pyridin-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
PubChem CID62555085
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN'-cyclopropyl-N-(pyridin-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESc1cncc(CNCCN(Cc2ccsc2)C2CC2)c1
InChIInChI=1S/C16H21N3S/c1-2-14(10-17-6-1)11-18-7-8-19(16-3-4-16)12-15-5-9-20-13-15/h1-2,5-6,9-10,13,16,18H,3-4,7-8,11-12H2
InChIKeyYLNSEGVAVFQCMS-UHFFFAOYSA-N
XLogP2.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopropyl-N-(furan-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 62553956
1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine;dihydrochloride
CID 163328741
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
oxalic acid;1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine
CID 171155059
N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61435554
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
N'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62563786
N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62575359
6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737857
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol
CID 56795318
N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-3-ylmethyl)pentane-1,5-diamine
CID 62435574

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-(pyridin-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-(pyridin-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine (CID 62555085) is N'-cyclopropyl-N-(pyridin-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-(pyridin-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-(pyridin-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine is c1cncc(CNCCN(Cc2ccsc2)C2CC2)c1.
What is the InChIKey of N'-cyclopropyl-N-(pyridin-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is YLNSEGVAVFQCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-2-14(10-17-6-1)11-18-7-8-19(16-3-4-16)12-15-5-9-20-13-15/h1-2,5-6,9-10,13,16,18H,3-4,7-8,11-12H2.
What are the key properties of N'-cyclopropyl-N-(pyridin-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
N'-cyclopropyl-N-(pyridin-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 287.43 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(pyridin-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62555085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).