1-N-tert-butyl-2-N-cyclopropyl-3-methoxy-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine

C16H28N2OS — CID 103225052

IUPAC1-N-tert-butyl-2-N-cyclopropyl-3-methoxy-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCOCC(CNC(C)(C)C)N(Cc1cccs1)C1CC1
InChIInChI=1S/C16H28N2OS/c1-16(2,3)17-10-14(12-19-4)18(13-7-8-13)11-15-6-5-9-20-15/h5-6,9,13-14,17H,7-8,10-12H2,1-4H3
InChIKeyISLHMPTXRRFZOH-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.12
Rot. Bonds8

About 1-N-tert-butyl-2-N-cyclopropyl-3-methoxy-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine

1-N-tert-butyl-2-N-cyclopropyl-3-methoxy-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine (PubChem CID 103225052) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-cyclopropyl-3-methoxy-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-cyclopropyl-3-methoxy-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
PubChem CID103225052
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name1-N-tert-butyl-2-N-cyclopropyl-3-methoxy-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCOCC(CNC(C)(C)C)N(Cc1cccs1)C1CC1
InChIInChI=1S/C16H28N2OS/c1-16(2,3)17-10-14(12-19-4)18(13-7-8-13)11-15-6-5-9-20-15/h5-6,9,13-14,17H,7-8,10-12H2,1-4H3
InChIKeyISLHMPTXRRFZOH-UHFFFAOYSA-N
XLogP3.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-tert-butyl-2-N-cyclopropyl-3-methoxy-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine with MolForge

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Related Compounds

2-N-cyclopropyl-1-N,3-dimethyl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62411330
1-N-tert-butyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62463060
1-N-tert-butyl-3-N,2-dimethyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 79409024
tert-butyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoate
CID 64688568
3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea
CID 113224633
2-N-cyclopropyl-3-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 54948407
2-N-ethyl-3-methoxy-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 103226198
1-N-tert-butyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine
CID 79494868
2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid
CID 61448732
3-methoxy-2-N-propan-2-yl-1-N-propyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 103226159
3-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448892
2-[cyclopropyl(thiophen-2-ylmethyl)amino]pentan-3-one
CID 64868203

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-cyclopropyl-3-methoxy-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-cyclopropyl-3-methoxy-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine (CID 103225052) is 1-N-tert-butyl-2-N-cyclopropyl-3-methoxy-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-cyclopropyl-3-methoxy-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-cyclopropyl-3-methoxy-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine is COCC(CNC(C)(C)C)N(Cc1cccs1)C1CC1.
What is the InChIKey of 1-N-tert-butyl-2-N-cyclopropyl-3-methoxy-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The InChIKey is ISLHMPTXRRFZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-16(2,3)17-10-14(12-19-4)18(13-7-8-13)11-15-6-5-9-20-15/h5-6,9,13-14,17H,7-8,10-12H2,1-4H3.
What are the key properties of 1-N-tert-butyl-2-N-cyclopropyl-3-methoxy-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
1-N-tert-butyl-2-N-cyclopropyl-3-methoxy-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine has a molecular weight of 296.48 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-cyclopropyl-3-methoxy-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 103225052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).