N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine

C17H30N2S — CID 107402142

IUPACN-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN(CC)CC2CCC2)c(C)s1
InChIInChI=1S/C17H30N2S/c1-4-9-18-11-17-10-16(14(3)20-17)13-19(5-2)12-15-7-6-8-15/h10,15,18H,4-9,11-13H2,1-3H3
InChIKeyUYWYUUCBJGBJEN-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.18
Rot. Bonds9

About N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine

N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine (PubChem CID 107402142) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
PubChem CID107402142
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN(CC)CC2CCC2)c(C)s1
InChIInChI=1S/C17H30N2S/c1-4-9-18-11-17-10-16(14(3)20-17)13-19(5-2)12-15-7-6-8-15/h10,15,18H,4-9,11-13H2,1-3H3
InChIKeyUYWYUUCBJGBJEN-UHFFFAOYSA-N
XLogP4.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.18
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-[[4-[[bis(cyclopropylmethyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80719418
N-[[5-[[cyclobutylmethyl(ethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107557690
N-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]propan-1-amine
CID 80728295
N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80728608
N-[[4-[[ethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80727288
N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine
CID 80719917
N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]propan-2-amine
CID 80727269
N,2-dimethyl-N-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]propan-1-amine
CID 80727545
N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80721378
N-[[5-methyl-4-[(2-methylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 80727521
N,N-dimethyl-1-[[2-methyl-5-(propylaminomethyl)thiophen-3-yl]methyl]piperidin-4-amine
CID 80720708
N-[4-[2-methyl-5-(propylaminomethyl)thiophen-3-yl]butyl]cyclopropanamine
CID 80729000

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine (CID 107402142) is N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine is CCCNCc1cc(CN(CC)CC2CCC2)c(C)s1.
What is the InChIKey of N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine?
The InChIKey is UYWYUUCBJGBJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-4-9-18-11-17-10-16(14(3)20-17)13-19(5-2)12-15-7-6-8-15/h10,15,18H,4-9,11-13H2,1-3H3.
What are the key properties of N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine?
N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylthiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107402142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).