N'-cyclopropyl-N-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine

C14H24N2S — CID 55069331

IUPACN'-cyclopropyl-N-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
SMILESCCNCCCCN(Cc1cccs1)C1CC1
InChIInChI=1S/C14H24N2S/c1-2-15-9-3-4-10-16(13-7-8-13)12-14-6-5-11-17-14/h5-6,11,13,15H,2-4,7-10,12H2,1H3
InChIKeyDHGBMROAMZKLCH-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.10
Rot. Bonds9

About N'-cyclopropyl-N-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine

N'-cyclopropyl-N-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine (PubChem CID 55069331) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N'-cyclopropyl-N-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
PubChem CID55069331
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN'-cyclopropyl-N-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
SMILESCCNCCCCN(Cc1cccs1)C1CC1
InChIInChI=1S/C14H24N2S/c1-2-15-9-3-4-10-16(13-7-8-13)12-14-6-5-11-17-14/h5-6,11,13,15H,2-4,7-10,12H2,1H3
InChIKeyDHGBMROAMZKLCH-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
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-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 61449280
N'-cyclopropyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62556546
9-[cyclopropyl(thiophen-2-ylmethyl)amino]nonane-1-thiol
CID 105344206
N-butan-2-yl-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61449596
N-ethyl-6-thiophen-2-ylhexan-1-amine
CID 65308427
4-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448812
N'-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557934
4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 114762984
N-cyclopropyl-N'-ethyl-2-methyl-2-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62261090
N-(3,3-diethoxypropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 55249177
N-but-3-ynyl-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 63655817
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine?
The IUPAC name of N'-cyclopropyl-N-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine (CID 55069331) is N'-cyclopropyl-N-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine.
What is the SMILES notation for N'-cyclopropyl-N-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine?
The canonical SMILES for N'-cyclopropyl-N-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine is CCNCCCCN(Cc1cccs1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine?
The InChIKey is DHGBMROAMZKLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-2-15-9-3-4-10-16(13-7-8-13)12-14-6-5-11-17-14/h5-6,11,13,15H,2-4,7-10,12H2,1H3.
What are the key properties of N'-cyclopropyl-N-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine?
N'-cyclopropyl-N-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine has a molecular weight of 252.43 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-ethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine is sourced from PubChem (CID 55069331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).