N-methyl-1-(5-methylthiophen-2-yl)-N-pentylethane-1,2-diamine

C13H24N2S — CID 43294656

IUPACN-methyl-1-(5-methylthiophen-2-yl)-N-pentylethane-1,2-diamine
SMILESCCCCCN(C)C(CN)c1ccc(C)s1
InChIInChI=1S/C13H24N2S/c1-4-5-6-9-15(3)12(10-14)13-8-7-11(2)16-13/h7-8,12H,4-6,9-10,14H2,1-3H3
InChIKeyNFTSUCWOBQTMGQ-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.18
Rot. Bonds7

About N-methyl-1-(5-methylthiophen-2-yl)-N-pentylethane-1,2-diamine

N-methyl-1-(5-methylthiophen-2-yl)-N-pentylethane-1,2-diamine (PubChem CID 43294656) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-methyl-1-(5-methylthiophen-2-yl)-N-pentylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylthiophen-2-yl)-N-pentylethane-1,2-diamine
PubChem CID43294656
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-methyl-1-(5-methylthiophen-2-yl)-N-pentylethane-1,2-diamine
SMILESCCCCCN(C)C(CN)c1ccc(C)s1
InChIInChI=1S/C13H24N2S/c1-4-5-6-9-15(3)12(10-14)13-8-7-11(2)16-13/h7-8,12H,4-6,9-10,14H2,1-3H3
InChIKeyNFTSUCWOBQTMGQ-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.18
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-(3-methoxypropyl)-N-methyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
CID 62984095
N-(cyclopropylmethyl)-N-methyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
CID 60984620
N-methyl-N-pentyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43294635
N-methyl-N-pentyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 43294622
1-(furan-3-yl)-N-methyl-N-pentylethane-1,2-diamine
CID 63208199
N-methyl-1-(5-methylthiophen-2-yl)-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63725566
1-(3-bromo-4-methylphenyl)-N-methyl-N-pentylethane-1,2-diamine
CID 105404728
1-(5-chlorothiophen-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 55002445
N-cyclopropyl-N-ethyl-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
CID 43264016
1-(5-methylthiophen-2-yl)octan-1-amine
CID 43125261
1-(3,5-dichlorophenyl)-N-methyl-N-pentylethane-1,2-diamine
CID 54919770
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-N-pentylethane-1,2-diamine
CID 60869742

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylthiophen-2-yl)-N-pentylethane-1,2-diamine?
The IUPAC name of N-methyl-1-(5-methylthiophen-2-yl)-N-pentylethane-1,2-diamine (CID 43294656) is N-methyl-1-(5-methylthiophen-2-yl)-N-pentylethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(5-methylthiophen-2-yl)-N-pentylethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(5-methylthiophen-2-yl)-N-pentylethane-1,2-diamine is CCCCCN(C)C(CN)c1ccc(C)s1.
What is the InChIKey of N-methyl-1-(5-methylthiophen-2-yl)-N-pentylethane-1,2-diamine?
The InChIKey is NFTSUCWOBQTMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-4-5-6-9-15(3)12(10-14)13-8-7-11(2)16-13/h7-8,12H,4-6,9-10,14H2,1-3H3.
What are the key properties of N-methyl-1-(5-methylthiophen-2-yl)-N-pentylethane-1,2-diamine?
N-methyl-1-(5-methylthiophen-2-yl)-N-pentylethane-1,2-diamine has a molecular weight of 240.42 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylthiophen-2-yl)-N-pentylethane-1,2-diamine is sourced from PubChem (CID 43294656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).