1-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentane-1,2-diamine

C13H24N2S — CID 106012217

IUPAC1-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentane-1,2-diamine
SMILESCCc1ccc(CNCC(N)C(C)CC)s1
InChIInChI=1S/C13H24N2S/c1-4-10(3)13(14)9-15-8-12-7-6-11(5-2)16-12/h6-7,10,13,15H,4-5,8-9,14H2,1-3H3
InChIKeyKHSWIXCONJJUIM-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.77
Rot. Bonds7

About 1-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentane-1,2-diamine

1-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentane-1,2-diamine (PubChem CID 106012217) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 1-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentane-1,2-diamine
PubChem CID106012217
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name1-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentane-1,2-diamine
SMILESCCc1ccc(CNCC(N)C(C)CC)s1
InChIInChI=1S/C13H24N2S/c1-4-10(3)13(14)9-15-8-12-7-6-11(5-2)16-12/h6-7,10,13,15H,4-5,8-9,14H2,1-3H3
InChIKeyKHSWIXCONJJUIM-UHFFFAOYSA-N
XLogP2.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 61150339
1-N-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethylbutane-1,2-diamine
CID 106012081
(2S,3S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentanamide
CID 103832951
N'-[(5-ethylthiophen-2-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313190
1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine
CID 61150352
N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62142433
N-[(5-ethylthiophen-2-yl)methyl]-2-methylpentan-3-amine
CID 61469407
N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558452
4-[[(2-amino-3-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381832
2-(2-chloroethyl)-N-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine
CID 106117199
2,5-diethylthiophene
CID 521294
3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine
CID 115842663

Frequently Asked Questions

What is the IUPAC name of 1-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentane-1,2-diamine?
The IUPAC name of 1-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentane-1,2-diamine (CID 106012217) is 1-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentane-1,2-diamine is CCc1ccc(CNCC(N)C(C)CC)s1.
What is the InChIKey of 1-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentane-1,2-diamine?
The InChIKey is KHSWIXCONJJUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-4-10(3)13(14)9-15-8-12-7-6-11(5-2)16-12/h6-7,10,13,15H,4-5,8-9,14H2,1-3H3.
What are the key properties of 1-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentane-1,2-diamine?
1-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentane-1,2-diamine has a molecular weight of 240.42 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentane-1,2-diamine is sourced from PubChem (CID 106012217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).