N-[[4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine

C18H32N2S — CID 80719485

IUPACN-[[4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1sc(CNC(C)(C)C)cc1CN(CC1CC1)C(C)C
InChIInChI=1S/C18H32N2S/c1-13(2)20(11-15-7-8-15)12-16-9-17(21-14(16)3)10-19-18(4,5)6/h9,13,15,19H,7-8,10-12H2,1-6H3
InChIKeyGKFIOGSIWHGLLX-UHFFFAOYSA-N
MW308.54 g/mol
LogP4.57
Rot. Bonds7

About N-[[4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine

N-[[4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 80719485) has the molecular formula C18H32N2S and a molecular weight of 308.54 g/mol. Its IUPAC name is N-[[4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID80719485
Molecular FormulaC18H32N2S
Molecular Weight308.54 g/mol
Exact Mass308.23
IUPAC NameN-[[4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1sc(CNC(C)(C)C)cc1CN(CC1CC1)C(C)C
InChIInChI=1S/C18H32N2S/c1-13(2)20(11-15-7-8-15)12-16-9-17(21-14(16)3)10-19-18(4,5)6/h9,13,15,19H,7-8,10-12H2,1-6H3
InChIKeyGKFIOGSIWHGLLX-UHFFFAOYSA-N
XLogP4.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.54
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

N-[[4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 80720719
N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 80727183
N-[[4-[(dipropylamino)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 80727929
N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]propan-2-amine
CID 80727693
N-ethyl-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-2-amine
CID 80727866
N-[[4-[[bis(cyclopropylmethyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80719418
N-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-1-amine
CID 80728295
N-[[4-[(2,5-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 80720631
2-methyl-N-[[5-methyl-4-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 80729153
N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]cyclohexanamine
CID 80727932
2-methyl-N-[[5-methyl-4-(pentan-2-yloxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 102986908
2-N-[[5-[(cyclopropylamino)methyl]-2-methylthiophen-3-yl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191711

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine (CID 80719485) is N-[[4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine is Cc1sc(CNC(C)(C)C)cc1CN(CC1CC1)C(C)C.
What is the InChIKey of N-[[4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is GKFIOGSIWHGLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-13(2)20(11-15-7-8-15)12-16-9-17(21-14(16)3)10-19-18(4,5)6/h9,13,15,19H,7-8,10-12H2,1-6H3.
What are the key properties of N-[[4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine?
N-[[4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 308.54 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 80719485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).