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

C14H26N2S — CID 55072475

IUPACN-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
SMILESCNCCCCCN(Cc1cccs1)C(C)C
InChIInChI=1S/C14H26N2S/c1-13(2)16(10-6-4-5-9-15-3)12-14-8-7-11-17-14/h7-8,11,13,15H,4-6,9-10,12H2,1-3H3
InChIKeyYSMDDMMEWWPPIM-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.35
Rot. Bonds9

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

N-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine (PubChem CID 55072475) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
PubChem CID55072475
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
SMILESCNCCCCCN(Cc1cccs1)C(C)C
InChIInChI=1S/C14H26N2S/c1-13(2)16(10-6-4-5-9-15-3)12-14-8-7-11-17-14/h7-8,11,13,15H,4-6,9-10,12H2,1-3H3
InChIKeyYSMDDMMEWWPPIM-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.35
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

N'-propan-2-yl-N'-(thiophen-2-ylmethyl)hexane-1,6-diamine
CID 54946840
N,N'-dimethyl-N'-(1-thiophen-2-ylethyl)pentane-1,5-diamine
CID 62431531
2,2-dimethyl-6-[propan-2-yl(thiophen-2-ylmethyl)amino]hexanenitrile
CID 106709914
N-ethyl-N-propan-2-yl-3-thiophen-2-ylpropan-1-amine
CID 67813674
N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 107556485
2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 65254528
2-N,2-dimethyl-1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62847316
1-phenyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 63321804
N-(1-cyclopropylethyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62558541
2-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 81079321
2-N-ethyl-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62463283
(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine?
The IUPAC name of N-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine (CID 55072475) is N-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine.
What is the SMILES notation for N-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine?
The canonical SMILES for N-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine is CNCCCCCN(Cc1cccs1)C(C)C.
What is the InChIKey of N-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine?
The InChIKey is YSMDDMMEWWPPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-13(2)16(10-6-4-5-9-15-3)12-14-8-7-11-17-14/h7-8,11,13,15H,4-6,9-10,12H2,1-3H3.
What are the key properties of N-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine?
N-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine has a molecular weight of 254.44 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine is sourced from PubChem (CID 55072475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).