N,N-dimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cycloheptan-1-amine

C17H30N2S — CID 79080663

IUPACN,N-dimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cycloheptan-1-amine
SMILESCNC(CCc1ccsc1)C1(N(C)C)CCCCCC1
InChIInChI=1S/C17H30N2S/c1-18-16(9-8-15-10-13-20-14-15)17(19(2)3)11-6-4-5-7-12-17/h10,13-14,16,18H,4-9,11-12H2,1-3H3
InChIKeyHHLFAZDYRXUOAD-UHFFFAOYSA-N
MW294.51 g/mol
LogP3.92
Rot. Bonds6

About N,N-dimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cycloheptan-1-amine

N,N-dimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cycloheptan-1-amine (PubChem CID 79080663) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cycloheptan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cycloheptan-1-amine
PubChem CID79080663
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN,N-dimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cycloheptan-1-amine
SMILESCNC(CCc1ccsc1)C1(N(C)C)CCCCCC1
InChIInChI=1S/C17H30N2S/c1-18-16(9-8-15-10-13-20-14-15)17(19(2)3)11-6-4-5-7-12-17/h10,13-14,16,18H,4-9,11-12H2,1-3H3
InChIKeyHHLFAZDYRXUOAD-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcycloheptan-1-amine
CID 79064190
1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcyclohexan-1-amine
CID 79066376
N,N,3-trimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cyclohexan-1-amine
CID 79074622
1-(1-methoxycyclopentyl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 113432820
1-(1-amino-2-thiophen-3-ylethyl)-N,N-dimethylcyclopentan-1-amine
CID 79069750
1-(1-amino-3-thiophen-3-ylpropyl)-N,N,3-trimethylcyclohexan-1-amine
CID 79074834
1-(1-hydrazinyl-3-phenylpropyl)-N,N-dimethylcyclopentan-1-amine
CID 105242308
N,N-dimethyl-1-[4-methyl-1-(methylamino)pentyl]cyclopentan-1-amine
CID 79070834
1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-ol
CID 115798476
N,N-dimethyl-1-[1-(methylamino)-2-thiophen-2-ylethyl]cycloheptan-1-amine
CID 79080928
N,N-dimethyl-1-[1-(methylamino)-2-phenylethyl]cyclopentan-1-amine
CID 79070215
N,N-dimethyl-1-[1-(methylamino)-4-methylsulfonylbutyl]cyclohexan-1-amine
CID 79066675

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cycloheptan-1-amine?
The IUPAC name of N,N-dimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cycloheptan-1-amine (CID 79080663) is N,N-dimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cycloheptan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cycloheptan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cycloheptan-1-amine is CNC(CCc1ccsc1)C1(N(C)C)CCCCCC1.
What is the InChIKey of N,N-dimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cycloheptan-1-amine?
The InChIKey is HHLFAZDYRXUOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-18-16(9-8-15-10-13-20-14-15)17(19(2)3)11-6-4-5-7-12-17/h10,13-14,16,18H,4-9,11-12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cycloheptan-1-amine?
N,N-dimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cycloheptan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cycloheptan-1-amine is sourced from PubChem (CID 79080663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).