1-N,1-N-diethyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine

C14H26N2S — CID 43178391

IUPAC1-N,1-N-diethyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCc1ccsc1
InChIInChI=1S/C14H26N2S/c1-4-16(5-2)9-6-7-13(3)15-11-14-8-10-17-12-14/h8,10,12-13,15H,4-7,9,11H2,1-3H3
InChIKeyIUBMJHNSDVTQKA-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.35
Rot. Bonds9

About 1-N,1-N-diethyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine

1-N,1-N-diethyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine (PubChem CID 43178391) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine
PubChem CID43178391
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name1-N,1-N-diethyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCc1ccsc1
InChIInChI=1S/C14H26N2S/c1-4-16(5-2)9-6-7-13(3)15-11-14-8-10-17-12-14/h8,10,12-13,15H,4-7,9,11H2,1-3H3
InChIKeyIUBMJHNSDVTQKA-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

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Related Compounds

4-N-[(3,4-dichlorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43080551
(2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine
CID 28667748
1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine
CID 65025507
1-N,1-N-diethyl-4-N-[(4-phenylmethoxyphenyl)methyl]pentane-1,4-diamine
CID 3653274
4-[3-(thiophen-3-ylmethylamino)butyl]phenol
CID 43746689
N-[[4-(diethylaminomethyl)phenyl]methyl]hexan-2-amine
CID 43770019
1-N,1-N-diethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pentane-1,4-diamine
CID 43180284
1-N,1-N-diethyl-4-N-[(5-methylfuran-2-yl)methyl]pentane-1,4-diamine
CID 4825725
1-N,1-N-diethyl-4-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentane-1,4-diamine
CID 60727317
[5-[[5-(diethylamino)pentan-2-ylamino]methyl]furan-2-yl]methanol
CID 64578392
1-N,1-N-diethyl-4-N-[(1-methylpyrrol-2-yl)methyl]pentane-1,4-diamine
CID 45282124
4-N-[2-(diethylamino)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43199211

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine (CID 43178391) is 1-N,1-N-diethyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine is CCN(CC)CCCC(C)NCc1ccsc1.
What is the InChIKey of 1-N,1-N-diethyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine?
The InChIKey is IUBMJHNSDVTQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-4-16(5-2)9-6-7-13(3)15-11-14-8-10-17-12-14/h8,10,12-13,15H,4-7,9,11H2,1-3H3.
What are the key properties of 1-N,1-N-diethyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-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 1-N,1-N-diethyl-4-N-(thiophen-3-ylmethyl)pentane-1,4-diamine is sourced from PubChem (CID 43178391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).