1-N-cyclopropyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine

C14H24N2S — CID 113407448

IUPAC1-N-cyclopropyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine
SMILESCC(CNC1CC1)NCCCCc1cccs1
InChIInChI=1S/C14H24N2S/c1-12(11-16-13-7-8-13)15-9-3-2-5-14-6-4-10-17-14/h4,6,10,12-13,15-16H,2-3,5,7-9,11H2,1H3
InChIKeyNJVICQBPXANKJN-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.80
Rot. Bonds9

About 1-N-cyclopropyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine

1-N-cyclopropyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine (PubChem CID 113407448) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine
PubChem CID113407448
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-N-cyclopropyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine
SMILESCC(CNC1CC1)NCCCCc1cccs1
InChIInChI=1S/C14H24N2S/c1-12(11-16-13-7-8-13)15-9-3-2-5-14-6-4-10-17-14/h4,6,10,12-13,15-16H,2-3,5,7-9,11H2,1H3
InChIKeyNJVICQBPXANKJN-UHFFFAOYSA-N
XLogP2.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-6-thiophen-2-ylhexan-1-amine
CID 65308474
N-(1-cyclopentylethyl)-3-thiophen-2-ylpropan-1-amine
CID 115897402
1-N,1-N-diethyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine
CID 113408512
N-(3-thiophen-2-ylpropyl)hexan-2-amine
CID 115897415
1-N-cyclopropyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 55072330
1-N-cyclopropyl-3-N,2-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 79494865
4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 65023554
N-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine
CID 112570087
2-(6-thiophen-2-ylhexan-2-ylamino)ethanol
CID 83980461
3-methyl-N-(3-thiophen-2-ylpropyl)butan-2-amine
CID 115897426
1-cyclobutyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 115706476
(1R)-1-cyclopentyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81395803

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine (CID 113407448) is 1-N-cyclopropyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine is CC(CNC1CC1)NCCCCc1cccs1.
What is the InChIKey of 1-N-cyclopropyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine?
The InChIKey is NJVICQBPXANKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-12(11-16-13-7-8-13)15-9-3-2-5-14-6-4-10-17-14/h4,6,10,12-13,15-16H,2-3,5,7-9,11H2,1H3.
What are the key properties of 1-N-cyclopropyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine?
1-N-cyclopropyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine has a molecular weight of 252.43 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine is sourced from PubChem (CID 113407448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).