N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine

C18H32N2S — CID 107555450

IUPACN-[[5-[(4-tert-butylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN2CCC(C(C)(C)C)CC2)s1
InChIInChI=1S/C18H32N2S/c1-5-10-19-13-16-6-7-17(21-16)14-20-11-8-15(9-12-20)18(2,3)4/h6-7,15,19H,5,8-14H2,1-4H3
InChIKeyYNFXUNYACVUXDP-UHFFFAOYSA-N
MW308.54 g/mol
LogP4.51
Rot. Bonds6

About N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine

N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine (PubChem CID 107555450) has the molecular formula C18H32N2S and a molecular weight of 308.54 g/mol. Its IUPAC name is N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(4-tert-butylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
PubChem CID107555450
Molecular FormulaC18H32N2S
Molecular Weight308.54 g/mol
Exact Mass308.23
IUPAC NameN-[[5-[(4-tert-butylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN2CCC(C(C)(C)C)CC2)s1
InChIInChI=1S/C18H32N2S/c1-5-10-19-13-16-6-7-17(21-16)14-20-11-8-15(9-12-20)18(2,3)4/h6-7,15,19H,5,8-14H2,1-4H3
InChIKeyYNFXUNYACVUXDP-UHFFFAOYSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.54
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-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-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107555665
N-[[5-[(4-propan-2-ylazepan-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107556991
N-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107555987
N-[[5-[(3,3-dimethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107557194
N-methyl-1-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
CID 107557064
N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62592209
N-[[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107557061
N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107556729
N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 107556031
N-[[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107557570
N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107557810
N-[[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 62439132

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine (CID 107555450) is N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine is CCCNCc1ccc(CN2CCC(C(C)(C)C)CC2)s1.
What is the InChIKey of N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is YNFXUNYACVUXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-5-10-19-13-16-6-7-17(21-16)14-20-11-8-15(9-12-20)18(2,3)4/h6-7,15,19H,5,8-14H2,1-4H3.
What are the key properties of N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 308.54 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107555450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).