1-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylcycloheptan-1-amine

C19H32N2 — CID 79063752

IUPAC1-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCCNC(Cc1ccccc1)C1(N(C)C)CCCCCC1
InChIInChI=1S/C19H32N2/c1-4-20-18(16-17-12-8-7-9-13-17)19(21(2)3)14-10-5-6-11-15-19/h7-9,12-13,18,20H,4-6,10-11,14-16H2,1-3H3
InChIKeyGXUFZIOSLMJDKE-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.86
Rot. Bonds6

About 1-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylcycloheptan-1-amine

1-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 79063752) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID79063752
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCCNC(Cc1ccccc1)C1(N(C)C)CCCCCC1
InChIInChI=1S/C19H32N2/c1-4-20-18(16-17-12-8-7-9-13-17)19(21(2)3)14-10-5-6-11-15-19/h7-9,12-13,18,20H,4-6,10-11,14-16H2,1-3H3
InChIKeyGXUFZIOSLMJDKE-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-[1-(methylamino)-2-phenylethyl]cyclopentan-1-amine
CID 79070215
1-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070691
1-[1-(ethylamino)-2-pyridin-2-ylethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070225
1-[1-(dimethylamino)cyclopentyl]-2-phenylethanol
CID 79067226
1-[2-(4-chloro-3-fluorophenyl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 107884906
1-[2-(3-bromothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79064069
1-(1-hydrazinyl-3-phenylpropyl)-N,N-dimethylcyclopentan-1-amine
CID 105242308
1-[2-(5-chlorothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070614
3-[2-[1-(dimethylamino)cyclohexyl]-2-(ethylamino)ethyl]pyridin-4-amine
CID 79061268
1-[1-(ethylamino)-2-(5-ethyl-2-pyridinyl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79740571
1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcyclohexan-1-amine
CID 79066376
1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcycloheptan-1-amine
CID 79064190

Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylcycloheptan-1-amine (CID 79063752) is 1-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylcycloheptan-1-amine is CCNC(Cc1ccccc1)C1(N(C)C)CCCCCC1.
What is the InChIKey of 1-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is GXUFZIOSLMJDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-20-18(16-17-12-8-7-9-13-17)19(21(2)3)14-10-5-6-11-15-19/h7-9,12-13,18,20H,4-6,10-11,14-16H2,1-3H3.
What are the key properties of 1-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylcycloheptan-1-amine?
1-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 79063752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).