N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine

C15H26N2S — CID 79486010

IUPACN-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine
SMILESCC(Cc1cccs1)N(C)CCCCNC1CC1
InChIInChI=1S/C15H26N2S/c1-13(12-15-6-5-11-18-15)17(2)10-4-3-9-16-14-7-8-14/h5-6,11,13-14,16H,3-4,7-10,12H2,1-2H3
InChIKeyDQSDAOPDKKIANK-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.14
Rot. Bonds9

About N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine

N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine (PubChem CID 79486010) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine
PubChem CID79486010
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine
SMILESCC(Cc1cccs1)N(C)CCCCNC1CC1
InChIInChI=1S/C15H26N2S/c1-13(12-15-6-5-11-18-15)17(2)10-4-3-9-16-14-7-8-14/h5-6,11,13-14,16H,3-4,7-10,12H2,1-2H3
InChIKeyDQSDAOPDKKIANK-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.14
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

4-N-methyl-1-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1,4-diamine
CID 114763468
N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine
CID 79486315
N-[[5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 79490603
4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine
CID 79486724
1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 62420794
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
CID 79476552
N-butyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79493852
N-(cyclohexylmethyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79494082
6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one
CID 79486782
4-(cyclopropylamino)-N-(1-thiophen-2-ylpropan-2-yl)butane-1-sulfonamide
CID 106004399
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
N-cyclohexyl-N'-methyl-N'-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62562744

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine?
The IUPAC name of N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine (CID 79486010) is N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine.
What is the SMILES notation for N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine?
The canonical SMILES for N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine is CC(Cc1cccs1)N(C)CCCCNC1CC1.
What is the InChIKey of N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine?
The InChIKey is DQSDAOPDKKIANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-13(12-15-6-5-11-18-15)17(2)10-4-3-9-16-14-7-8-14/h5-6,11,13-14,16H,3-4,7-10,12H2,1-2H3.
What are the key properties of N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine?
N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine has a molecular weight of 266.45 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine is sourced from PubChem (CID 79486010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).