1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcycloheptan-1-amine

C18H32N2S — CID 79064190

IUPAC1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcycloheptan-1-amine
SMILESCCNC(CCc1ccsc1)C1(N(C)C)CCCCCC1
InChIInChI=1S/C18H32N2S/c1-4-19-17(10-9-16-11-14-21-15-16)18(20(2)3)12-7-5-6-8-13-18/h11,14-15,17,19H,4-10,12-13H2,1-3H3
InChIKeyQKWVEPDNRYWEPQ-UHFFFAOYSA-N
MW308.53 g/mol
LogP4.31
Rot. Bonds7

About 1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcycloheptan-1-amine

1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 79064190) has the molecular formula C18H32N2S and a molecular weight of 308.53 g/mol. Its IUPAC name is 1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID79064190
Molecular FormulaC18H32N2S
Molecular Weight308.53 g/mol
Exact Mass308.23
IUPAC Name1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcycloheptan-1-amine
SMILESCCNC(CCc1ccsc1)C1(N(C)C)CCCCCC1
InChIInChI=1S/C18H32N2S/c1-4-19-17(10-9-16-11-14-21-15-16)18(20(2)3)12-7-5-6-8-13-18/h11,14-15,17,19H,4-10,12-13H2,1-3H3
InChIKeyQKWVEPDNRYWEPQ-UHFFFAOYSA-N
XLogP4.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.53
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcyclohexan-1-amine
CID 79066376
N,N-dimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cycloheptan-1-amine
CID 79080663
N-ethyl-1-(2-methylthiolan-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147773
1-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylcycloheptan-1-amine
CID 79063752
N,N,3-trimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cyclohexan-1-amine
CID 79074622
1-[1-(ethylamino)hexyl]-N,N-dimethylcycloheptan-1-amine
CID 79081785
1-[2-(3-bromothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79064069
1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 116771017
1-[1-(2-methylpropyl)cyclopentyl]-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 115856802
1-(1-amino-2-thiophen-3-ylethyl)-N,N-dimethylcyclopentan-1-amine
CID 79069750
1-(1-methoxycyclopentyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 113432820
1-(1-amino-3-thiophen-3-ylpropyl)-N,N,3-trimethylcyclohexan-1-amine
CID 79074834

Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcycloheptan-1-amine (CID 79064190) is 1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcycloheptan-1-amine is CCNC(CCc1ccsc1)C1(N(C)C)CCCCCC1.
What is the InChIKey of 1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is QKWVEPDNRYWEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-4-19-17(10-9-16-11-14-21-15-16)18(20(2)3)12-7-5-6-8-13-18/h11,14-15,17,19H,4-10,12-13H2,1-3H3.
What are the key properties of 1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcycloheptan-1-amine?
1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 308.53 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 79064190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).