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

C18H34N2S — CID 114867542

IUPAC4-methyl-2-(2-methylpropyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
SMILESCC(C)CC(CN)(CC(C)C)N(Cc1cccs1)C(C)C
InChIInChI=1S/C18H34N2S/c1-14(2)10-18(13-19,11-15(3)4)20(16(5)6)12-17-8-7-9-21-17/h7-9,14-16H,10-13,19H2,1-6H3
InChIKeyHVLLCTNRXMYDBX-UHFFFAOYSA-N
MW310.55 g/mol
LogP4.75
Rot. Bonds9

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

4-methyl-2-(2-methylpropyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine (PubChem CID 114867542) has the molecular formula C18H34N2S and a molecular weight of 310.55 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpropyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name4-methyl-2-(2-methylpropyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
PubChem CID114867542
Molecular FormulaC18H34N2S
Molecular Weight310.55 g/mol
Exact Mass310.24
IUPAC Name4-methyl-2-(2-methylpropyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
SMILESCC(C)CC(CN)(CC(C)C)N(Cc1cccs1)C(C)C
InChIInChI=1S/C18H34N2S/c1-14(2)10-18(13-19,11-15(3)4)20(16(5)6)12-17-8-7-9-21-17/h7-9,14-16H,10-13,19H2,1-6H3
InChIKeyHVLLCTNRXMYDBX-UHFFFAOYSA-N
XLogP4.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.55
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,4-dimethyl-2-(2-methylpropyl)-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 114867817
2-N,2-diethyl-4-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
CID 61437250
4-methyl-2-(2-methylpropyl)-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 114867747
2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 65254528
N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61453411
3-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 102813686
N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine
CID 54946840
2-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079321
3-methyl-5-thiophen-2-ylpentan-1-amine
CID 65300701
2-ethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65232586
3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384051
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289693

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpropyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
The IUPAC name of 4-methyl-2-(2-methylpropyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine (CID 114867542) is 4-methyl-2-(2-methylpropyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine.
What is the SMILES notation for 4-methyl-2-(2-methylpropyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
The canonical SMILES for 4-methyl-2-(2-methylpropyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine is CC(C)CC(CN)(CC(C)C)N(Cc1cccs1)C(C)C.
What is the InChIKey of 4-methyl-2-(2-methylpropyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
The InChIKey is HVLLCTNRXMYDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2S/c1-14(2)10-18(13-19,11-15(3)4)20(16(5)6)12-17-8-7-9-21-17/h7-9,14-16H,10-13,19H2,1-6H3.
What are the key properties of 4-methyl-2-(2-methylpropyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine?
4-methyl-2-(2-methylpropyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine has a molecular weight of 310.55 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpropyl)-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine is sourced from PubChem (CID 114867542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).