1-N-cyclopropyl-3-N,2-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine

C15H26N2S — CID 79494865

IUPAC1-N-cyclopropyl-3-N,2-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
SMILESCC(CNC1CC1)C(C)N(C)CCc1cccs1
InChIInChI=1S/C15H26N2S/c1-12(11-16-14-6-7-14)13(2)17(3)9-8-15-5-4-10-18-15/h4-5,10,12-14,16H,6-9,11H2,1-3H3
InChIKeyUXIIKDKSZOSRRH-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.00
Rot. Bonds8

About 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine

1-N-cyclopropyl-3-N,2-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine (PubChem CID 79494865) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-3-N,2-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
PubChem CID79494865
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name1-N-cyclopropyl-3-N,2-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
SMILESCC(CNC1CC1)C(C)N(C)CCc1cccs1
InChIInChI=1S/C15H26N2S/c1-12(11-16-14-6-7-14)13(2)17(3)9-8-15-5-4-10-18-15/h4-5,10,12-14,16H,6-9,11H2,1-3H3
InChIKeyUXIIKDKSZOSRRH-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine with MolForge

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Related Compounds

1-N-cyclopropyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 55072330
1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 62420794
1-N-cyclopropyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine
CID 113407448
4-N-methyl-1-N-propyl-4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine
CID 114763470
N-cyclopropyl-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 60843550
N-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494562
N-[[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 79490840
N,N'-dicyclopropyl-2-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62412914
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79494546
N-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine
CID 112570087
2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 79494883
N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine
CID 79486010

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine?
The IUPAC name of 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine (CID 79494865) is 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine?
The canonical SMILES for 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine is CC(CNC1CC1)C(C)N(C)CCc1cccs1.
What is the InChIKey of 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine?
The InChIKey is UXIIKDKSZOSRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-12(11-16-14-6-7-14)13(2)17(3)9-8-15-5-4-10-18-15/h4-5,10,12-14,16H,6-9,11H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine?
1-N-cyclopropyl-3-N,2-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine has a molecular weight of 266.45 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-3-N,2-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine is sourced from PubChem (CID 79494865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).