N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-thiophen-2-ylethanamine

C18H30N2S — CID 43100305

IUPACN-[(1-piperidin-1-ylcyclohexyl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(NCC1(N2CCCCC2)CCCCC1)c1cccs1
InChIInChI=1S/C18H30N2S/c1-16(17-9-8-14-21-17)19-15-18(10-4-2-5-11-18)20-12-6-3-7-13-20/h8-9,14,16,19H,2-7,10-13,15H2,1H3
InChIKeySIBBNTRQGWITBK-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.59
Rot. Bonds5

About N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-thiophen-2-ylethanamine

N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 43100305) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(1-piperidin-1-ylcyclohexyl)methyl]-1-thiophen-2-ylethanamine
PubChem CID43100305
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC NameN-[(1-piperidin-1-ylcyclohexyl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(NCC1(N2CCCCC2)CCCCC1)c1cccs1
InChIInChI=1S/C18H30N2S/c1-16(17-9-8-14-21-17)19-15-18(10-4-2-5-11-18)20-12-6-3-7-13-20/h8-9,14,16,19H,2-7,10-13,15H2,1H3
InChIKeySIBBNTRQGWITBK-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-pyrrolidin-1-ylcyclopentyl)-thiophen-2-ylmethyl]ethanamine
CID 79058723
3-(carbamoylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-thiophen-2-ylpropanamide
CID 134057065
4,4-dimethyl-1-[(1-thiophen-2-ylethylamino)methyl]cyclohexan-1-ol
CID 65116662
3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]butan-2-amine
CID 115706769
N'-hydroxy-2-[1-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]cyclopropyl]ethanimidamide
CID 81408624
[1-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]cyclohexyl]methanol
CID 81413063
N-[(1-thiophen-2-ylcycloheptyl)methyl]propan-2-amine
CID 55095998
2-methyl-N-(2-piperidin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine
CID 60697417
N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]thiophene-2-carboxamide
CID 35672039
ethyl 4-hydroxy-4-[(1-thiophen-2-ylethylamino)methyl]cyclohexane-1-carboxylate
CID 106499131
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398287

Frequently Asked Questions

What is the IUPAC name of N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-thiophen-2-ylethanamine (CID 43100305) is N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-thiophen-2-ylethanamine is CC(NCC1(N2CCCCC2)CCCCC1)c1cccs1.
What is the InChIKey of N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is SIBBNTRQGWITBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-16(17-9-8-14-21-17)19-15-18(10-4-2-5-11-18)20-12-6-3-7-13-20/h8-9,14,16,19H,2-7,10-13,15H2,1H3.
What are the key properties of N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-thiophen-2-ylethanamine?
N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 306.52 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 43100305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).