1-N-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine

C15H28N2S — CID 62570543

IUPAC1-N-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCCCCNCC(C)N(Cc1cccs1)C(C)C
InChIInChI=1S/C15H28N2S/c1-5-6-9-16-11-14(4)17(13(2)3)12-15-8-7-10-18-15/h7-8,10,13-14,16H,5-6,9,11-12H2,1-4H3
InChIKeyWFSMAFOOPYTRMH-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.74
Rot. Bonds9

About 1-N-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine

1-N-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine (PubChem CID 62570543) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 1-N-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
PubChem CID62570543
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name1-N-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCCCCNCC(C)N(Cc1cccs1)C(C)C
InChIInChI=1S/C15H28N2S/c1-5-6-9-16-11-14(4)17(13(2)3)12-15-8-7-10-18-15/h7-8,10,13-14,16H,5-6,9,11-12H2,1-4H3
InChIKeyWFSMAFOOPYTRMH-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.74
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

1-N-(3-methylbutyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 55087518
1-N-pentan-2-yl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62567811
1-N-(furan-2-ylmethyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62567992
1-N-cyclopropyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 55072330
3-methoxy-2-N-propan-2-yl-1-N-propyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 103226159
1-N-cyclopentyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62568174
N-butyl-4-thiophen-2-ylbutan-1-amine
CID 60984563
1-N-methyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62462705
N-butyl-5-thiophen-2-ylpentan-1-amine
CID 83980454
3-[propan-2-yl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61451665
1-N,2-dimethyl-3-N-propan-2-yl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 79408522
2-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62568663

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 1-N-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine (CID 62570543) is 1-N-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine is CCCCNCC(C)N(Cc1cccs1)C(C)C.
What is the InChIKey of 1-N-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The InChIKey is WFSMAFOOPYTRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-5-6-9-16-11-14(4)17(13(2)3)12-15-8-7-10-18-15/h7-8,10,13-14,16H,5-6,9,11-12H2,1-4H3.
What are the key properties of 1-N-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
1-N-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine has a molecular weight of 268.47 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 62570543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).