2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine

C15H28N2S — CID 65254528

IUPAC2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
SMILESCC(C)N(CCCC(C)(C)CN)Cc1cccs1
InChIInChI=1S/C15H28N2S/c1-13(2)17(11-14-7-5-10-18-14)9-6-8-15(3,4)12-16/h5,7,10,13H,6,8-9,11-12,16H2,1-4H3
InChIKeyDRPSCULXHAREQH-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.72
Rot. Bonds8

About 2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine

2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine (PubChem CID 65254528) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
PubChem CID65254528
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
SMILESCC(C)N(CCCC(C)(C)CN)Cc1cccs1
InChIInChI=1S/C15H28N2S/c1-13(2)17(11-14-7-5-10-18-14)9-6-8-15(3,4)12-16/h5,7,10,13H,6,8-9,11-12,16H2,1-4H3
InChIKeyDRPSCULXHAREQH-UHFFFAOYSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine
CID 54946840
N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 65247464
2,2-dimethyl-6-[propan-2-yl(thiophen-2-ylmethyl)amino]hexanenitrile
CID 106709914
2-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079321
N-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 55072475
1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 63321804
N'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 92864149
N-ethyl-2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258772
N-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 67813674
N'-benzyl-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine
CID 65295753
2-N,2-dimethyl-1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62847316
N',3,3-trimethyl-N'-(1-thiophen-2-ylethyl)hexane-1,6-diamine
CID 65295773

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine?
The IUPAC name of 2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine (CID 65254528) is 2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine?
The canonical SMILES for 2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine is CC(C)N(CCCC(C)(C)CN)Cc1cccs1.
What is the InChIKey of 2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine?
The InChIKey is DRPSCULXHAREQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-13(2)17(11-14-7-5-10-18-14)9-6-8-15(3,4)12-16/h5,7,10,13H,6,8-9,11-12,16H2,1-4H3.
What are the key properties of 2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine?
2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine has a molecular weight of 268.47 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine is sourced from PubChem (CID 65254528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).