N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine

C18H30N2S — CID 107556865

IUPACN-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN(C)CC2CC3CCC2C3)s1
InChIInChI=1S/C18H30N2S/c1-13(2)19-10-17-6-7-18(21-17)12-20(3)11-16-9-14-4-5-15(16)8-14/h6-7,13-16,19H,4-5,8-12H2,1-3H3
InChIKeyIUSKWOKDSGVPEZ-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.11
Rot. Bonds7

About N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine

N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine (PubChem CID 107556865) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
PubChem CID107556865
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC NameN-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(CN(C)CC2CC3CCC2C3)s1
InChIInChI=1S/C18H30N2S/c1-13(2)19-10-17-6-7-18(21-17)12-20(3)11-16-9-14-4-5-15(16)8-14/h6-7,13-16,19H,4-5,8-12H2,1-3H3
InChIKeyIUSKWOKDSGVPEZ-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-[[methyl(oxan-3-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556893
N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556812
3-[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 63683370
N-[[5-[[methyl(propan-2-yl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555623
N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107555361
1-cyclohexyl-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]methanamine
CID 107555360
1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-iodophenyl)methyl]-N-methylmethanamine
CID 65491102
N-[[5-(aminomethyl)furan-2-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
CID 63681873
N-[[5-[[(4-bromophenyl)methyl-methylamino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555405
N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107555362
N-[[2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 63683744
N-[[2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63682547

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine (CID 107556865) is N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine is CC(C)NCc1ccc(CN(C)CC2CC3CCC2C3)s1.
What is the InChIKey of N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is IUSKWOKDSGVPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-13(2)19-10-17-6-7-18(21-17)12-20(3)11-16-9-14-4-5-15(16)8-14/h6-7,13-16,19H,4-5,8-12H2,1-3H3.
What are the key properties of N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine?
N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 306.52 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107556865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).