N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine

C15H24N2S — CID 63688840

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine
SMILESCN(CC1CC2CCC1C2)C(CN)c1ccsc1
InChIInChI=1S/C15H24N2S/c1-17(15(8-16)13-4-5-18-10-13)9-14-7-11-2-3-12(14)6-11/h4-5,10-12,14-15H,2-3,6-9,16H2,1H3
InChIKeyXKTHIVPEOOYFKY-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.12
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine

N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine (PubChem CID 63688840) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine
PubChem CID63688840
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine
SMILESCN(CC1CC2CCC1C2)C(CN)c1ccsc1
InChIInChI=1S/C15H24N2S/c1-17(15(8-16)13-4-5-18-10-13)9-14-7-11-2-3-12(14)6-11/h4-5,10-12,14-15H,2-3,6-9,16H2,1H3
InChIKeyXKTHIVPEOOYFKY-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine
CID 63233410
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2,5-difluorophenyl)-N-methylethane-1,2-diamine
CID 63681537
2-(2-bicyclo[2.2.1]heptanyl)-1-thiophen-3-ylethanol
CID 79559068
N-(2-methoxyethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 61427465
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(4-chlorophenyl)-1-N-methylpropane-1,2-diamine
CID 63688861
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexyl-N-methylethane-1,2-diamine
CID 63687931
N-cyclopropyl-1-thiophen-3-yl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433804
4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]pyridine-2-carbothioamide
CID 63881324
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
CID 63888471
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanamide
CID 63682682
(1S)-N,N-dimethyl-1-thiophen-3-ylpropane-1,3-diamine
CID 134307108
N-methyl-N-(2-methylphenyl)-1-thiophen-3-ylethane-1,2-diamine
CID 62004095

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine (CID 63688840) is N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine is CN(CC1CC2CCC1C2)C(CN)c1ccsc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine?
The InChIKey is XKTHIVPEOOYFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-17(15(8-16)13-4-5-18-10-13)9-14-7-11-2-3-12(14)6-11/h4-5,10-12,14-15H,2-3,6-9,16H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine has a molecular weight of 264.44 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine is sourced from PubChem (CID 63688840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).