N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propylcycloheptan-1-amine

C18H29NS — CID 65091166

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NCc2cc3c(s2)CCC3)CC1
InChIInChI=1S/C18H29NS/c1-2-5-14-6-3-8-16(11-10-14)19-13-17-12-15-7-4-9-18(15)20-17/h12,14,16,19H,2-11,13H2,1H3
InChIKeyHKRRHBWAYSDOFJ-UHFFFAOYSA-N
MW291.50 g/mol
LogP5.08
Rot. Bonds5

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propylcycloheptan-1-amine

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propylcycloheptan-1-amine (PubChem CID 65091166) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propylcycloheptan-1-amine
PubChem CID65091166
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(NCc2cc3c(s2)CCC3)CC1
InChIInChI=1S/C18H29NS/c1-2-5-14-6-3-8-16(11-10-14)19-13-17-12-15-7-4-9-18(15)20-17/h12,14,16,19H,2-11,13H2,1H3
InChIKeyHKRRHBWAYSDOFJ-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.50
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755679
N-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091163
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 79741576
tert-butyl N-[3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)cyclopentyl]carbamate
CID 103719834
tert-butyl 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)azetidine-1-carboxylate
CID 63303317
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466418
3-(cyclopropylamino)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide
CID 61208786
N-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethyl)cycloheptanamine
CID 80709318
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pentan-1-amine
CID 61208352
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 63452540
N,N-diethyl-5-[[(4-propylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine
CID 63454816
N-cyclobutyl-4-propylcycloheptan-1-amine
CID 65091278

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propylcycloheptan-1-amine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propylcycloheptan-1-amine (CID 65091166) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propylcycloheptan-1-amine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propylcycloheptan-1-amine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propylcycloheptan-1-amine is CCCC1CCCC(NCc2cc3c(s2)CCC3)CC1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propylcycloheptan-1-amine?
The InChIKey is HKRRHBWAYSDOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-2-5-14-6-3-8-16(11-10-14)19-13-17-12-15-7-4-9-18(15)20-17/h12,14,16,19H,2-11,13H2,1H3.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propylcycloheptan-1-amine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propylcycloheptan-1-amine has a molecular weight of 291.50 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propylcycloheptan-1-amine is sourced from PubChem (CID 65091166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).