4-methyl-2-(2-methylpropyl)-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine

C15H28N2S — CID 114867747

IUPAC4-methyl-2-(2-methylpropyl)-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
SMILESCC(C)CC(CN)(CC(C)C)NCc1cccs1
InChIInChI=1S/C15H28N2S/c1-12(2)8-15(11-16,9-13(3)4)17-10-14-6-5-7-18-14/h5-7,12-13,17H,8-11,16H2,1-4H3
InChIKeyVNVHTEIABPNIHO-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.63
Rot. Bonds8

About 4-methyl-2-(2-methylpropyl)-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine

4-methyl-2-(2-methylpropyl)-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine (PubChem CID 114867747) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpropyl)-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name4-methyl-2-(2-methylpropyl)-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
PubChem CID114867747
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name4-methyl-2-(2-methylpropyl)-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
SMILESCC(C)CC(CN)(CC(C)C)NCc1cccs1
InChIInChI=1S/C15H28N2S/c1-12(2)8-15(11-16,9-13(3)4)17-10-14-6-5-7-18-14/h5-7,12-13,17H,8-11,16H2,1-4H3
InChIKeyVNVHTEIABPNIHO-UHFFFAOYSA-N
XLogP3.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
CID 65379569
4-methyl-2-(2-methylpropyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 114867542
4-methoxy-4-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 106675725
2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 114867817
2-methyl-2-N-(thiophen-2-ylmethyl)heptane-1,2-diamine
CID 80557369
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 4722843
2,2,5-trimethyl-N-(thiophen-2-ylmethyl)hexan-3-amine
CID 115641765
3-(2-methoxyphenyl)-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 65382377
2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride
CID 53347623
3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 61150339
2-N-methyl-2-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62558151

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpropyl)-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
The IUPAC name of 4-methyl-2-(2-methylpropyl)-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine (CID 114867747) is 4-methyl-2-(2-methylpropyl)-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine.
What is the SMILES notation for 4-methyl-2-(2-methylpropyl)-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
The canonical SMILES for 4-methyl-2-(2-methylpropyl)-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine is CC(C)CC(CN)(CC(C)C)NCc1cccs1.
What is the InChIKey of 4-methyl-2-(2-methylpropyl)-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
The InChIKey is VNVHTEIABPNIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-12(2)8-15(11-16,9-13(3)4)17-10-14-6-5-7-18-14/h5-7,12-13,17H,8-11,16H2,1-4H3.
What are the key properties of 4-methyl-2-(2-methylpropyl)-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
4-methyl-2-(2-methylpropyl)-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine has a molecular weight of 268.47 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpropyl)-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine is sourced from PubChem (CID 114867747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).