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

C14H24N2OS — CID 62556546

IUPACN'-cyclopropyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCOCCCNCCN(Cc1cccs1)C1CC1
InChIInChI=1S/C14H24N2OS/c1-17-10-3-7-15-8-9-16(13-5-6-13)12-14-4-2-11-18-14/h2,4,11,13,15H,3,5-10,12H2,1H3
InChIKeyPTWDIQUHPQIRMI-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.34
Rot. Bonds10

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

N'-cyclopropyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 62556546) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N'-cyclopropyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID62556546
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN'-cyclopropyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCOCCCNCCN(Cc1cccs1)C1CC1
InChIInChI=1S/C14H24N2OS/c1-17-10-3-7-15-8-9-16(13-5-6-13)12-14-4-2-11-18-14/h2,4,11,13,15H,3,5-10,12H2,1H3
InChIKeyPTWDIQUHPQIRMI-UHFFFAOYSA-N
XLogP2.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.34
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-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 55069331
N'-ethyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55089552
3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 60925441
N'-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557934
N'-cyclopropyl-N-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 61449280
N-butan-2-yl-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61449596
N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557593
N'-cyclopropyl-N'-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 64522871
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556371
N-(3-ethoxypropyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557518
9-[cyclopropyl(thiophen-2-ylmethyl)amino]nonane-1-thiol
CID 105344206
N-(3,3-diethoxypropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 55249177

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 62556546) is N'-cyclopropyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is COCCCNCCN(Cc1cccs1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is PTWDIQUHPQIRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-17-10-3-7-15-8-9-16(13-5-6-13)12-14-4-2-11-18-14/h2,4,11,13,15H,3,5-10,12H2,1H3.
What are the key properties of N'-cyclopropyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N'-cyclopropyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 268.43 g/mol, XLogP of 2.34, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62556546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).