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

C14H24N2S — CID 62555373

IUPACN'-(cyclopropylmethyl)-N'-propyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCCCN(CCNCc1cccs1)CC1CC1
InChIInChI=1S/C14H24N2S/c1-2-8-16(12-13-5-6-13)9-7-15-11-14-4-3-10-17-14/h3-4,10,13,15H,2,5-9,11-12H2,1H3
InChIKeyDSJGPCFFBVQCOL-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.96
Rot. Bonds9

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

N'-(cyclopropylmethyl)-N'-propyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 62555373) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N'-propyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N'-propyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID62555373
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN'-(cyclopropylmethyl)-N'-propyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCCCN(CCNCc1cccs1)CC1CC1
InChIInChI=1S/C14H24N2S/c1-2-8-16(12-13-5-6-13)9-7-15-11-14-4-3-10-17-14/h3-4,10,13,15H,2,5-9,11-12H2,1H3
InChIKeyDSJGPCFFBVQCOL-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.96
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-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61151130
2-N-(cyclopropylmethyl)-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62569378
N,N'-bis(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 61443394
N-[(4-bromothiophen-2-yl)methyl]-N'-(cyclopropylmethyl)-N'-ethylethane-1,2-diamine
CID 63939322
N-(cyclopentylmethyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62556471
N'-cyclopropyl-N'-(cyclopropylmethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 64522871
N-(cyclopentylmethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 55089985
3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62715454
2-N-methyl-2-N-propyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62568611
N'-(cyclopropylmethyl)-N-(4-methylphenyl)-N'-propylethane-1,2-diamine
CID 62555539
N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 75525535
N'-(cyclopropylmethyl)-N-(2-fluorophenyl)-N'-propylethane-1,2-diamine
CID 62555695

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N'-propyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N'-propyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 62555373) is N'-(cyclopropylmethyl)-N'-propyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N'-propyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N'-propyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is CCCN(CCNCc1cccs1)CC1CC1.
What is the InChIKey of N'-(cyclopropylmethyl)-N'-propyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is DSJGPCFFBVQCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-2-8-16(12-13-5-6-13)9-7-15-11-14-4-3-10-17-14/h3-4,10,13,15H,2,5-9,11-12H2,1H3.
What are the key properties of N'-(cyclopropylmethyl)-N'-propyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N'-(cyclopropylmethyl)-N'-propyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 252.43 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N'-propyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62555373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).