N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine

C14H24N2S — CID 62580578

IUPACN-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1Cc1cccs1
InChIInChI=1S/C14H24N2S/c1-2-8-15-11-13-6-3-4-9-16(13)12-14-7-5-10-17-14/h5,7,10,13,15H,2-4,6,8-9,11-12H2,1H3
InChIKeyZWGOHVNVVDMHGO-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.10
Rot. Bonds6

About N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine

N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine (PubChem CID 62580578) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
PubChem CID62580578
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1Cc1cccs1
InChIInChI=1S/C14H24N2S/c1-2-8-15-11-13-6-3-4-9-16(13)12-14-7-5-10-17-14/h5,7,10,13,15H,2-4,6,8-9,11-12H2,1H3
InChIKeyZWGOHVNVVDMHGO-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.10
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-(thiophen-2-ylmethyl)morpholin-3-yl]methyl]propan-1-amine
CID 83100890
1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 3157138
N-[[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 55220491
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62581616
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62581836
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911439
1-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propan-2-one
CID 79546734
N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
CID 97017290
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 62575431
N-[[1-[(2,4-difluorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 62582020
N-[[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 65318410
1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine;oxalic acid
CID 17053126

Frequently Asked Questions

What is the IUPAC name of N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine (CID 62580578) is N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine is CCCNCC1CCCCN1Cc1cccs1.
What is the InChIKey of N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine?
The InChIKey is ZWGOHVNVVDMHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-2-8-15-11-13-6-3-4-9-16(13)12-14-7-5-10-17-14/h5,7,10,13,15H,2-4,6,8-9,11-12H2,1H3.
What are the key properties of N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine?
N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62580578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).