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

Tenocyclidine
CID 62751
Gacyclidine
CID 176265
1-(2-Thienylmethyl)piperazine, monohydrochloride
CID 2760623
2-phenyl-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine
CID 20115426
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
1-(Thien-2-ylmethyl)piperazine
CID 566208
7-methyl-4H,5H,6H,7H-thieno(2,3-c)pyridine
CID 14548169
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
1-(1-(5-(2'-Fluoroethyl)-2-thienyl)-cyclohexyl)piperidine
CID 192646
1,2,3,6-Tetrahydro-1-[1-(2-thienyl)cyclohexyl]pyridine
CID 399892
2-(4-(propan-2-yl)phenyl)-2-(4H,5H,6H,7H-thieno(3,2-c)pyridin-5-yl)ethan-1-amine
CID 43180384
[1-(Thiophen-2-ylmethyl)piperidin-4-yl]methanamine
CID 23004745

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).