1-[ethylamino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcycloheptan-1-amine

C17H28FN3 — CID 104738479

IUPAC1-[ethylamino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcycloheptan-1-amine
SMILESCCNC(c1ccncc1F)C1(N(C)C)CCCCCC1
InChIInChI=1S/C17H28FN3/c1-4-20-16(14-9-12-19-13-15(14)18)17(21(2)3)10-7-5-6-8-11-17/h9,12-13,16,20H,4-8,10-11H2,1-3H3
InChIKeyKGROTPIYHDMSCA-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.53
Rot. Bonds5

About 1-[ethylamino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcycloheptan-1-amine

1-[ethylamino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 104738479) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-[ethylamino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[ethylamino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID104738479
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC Name1-[ethylamino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcycloheptan-1-amine
SMILESCCNC(c1ccncc1F)C1(N(C)C)CCCCCC1
InChIInChI=1S/C17H28FN3/c1-4-20-16(14-9-12-19-13-15(14)18)17(21(2)3)10-7-5-6-8-11-17/h9,12-13,16,20H,4-8,10-11H2,1-3H3
InChIKeyKGROTPIYHDMSCA-UHFFFAOYSA-N
XLogP3.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 105038430
1-[amino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 113447269
N,N-diethyl-1-[ethylamino-(4-methyl-3-pyridinyl)methyl]cyclopentan-1-amine
CID 79059688
1-[(3-bromo-2-fluorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 106645829
N-ethyl-1-(3-fluoro-4-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 104738490
1-[(2,5-dichlorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79062523
1-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 104738429
N-[(2,2-dimethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 107190887
3-[2-[1-(dimethylamino)cyclohexyl]-2-(ethylamino)ethyl]pyridin-4-amine
CID 79061268
1-[ethylamino-(2-fluorophenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79063225
1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065926
N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 104738170

Frequently Asked Questions

What is the IUPAC name of 1-[ethylamino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[ethylamino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcycloheptan-1-amine (CID 104738479) is 1-[ethylamino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[ethylamino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[ethylamino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcycloheptan-1-amine is CCNC(c1ccncc1F)C1(N(C)C)CCCCCC1.
What is the InChIKey of 1-[ethylamino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is KGROTPIYHDMSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-4-20-16(14-9-12-19-13-15(14)18)17(21(2)3)10-7-5-6-8-11-17/h9,12-13,16,20H,4-8,10-11H2,1-3H3.
What are the key properties of 1-[ethylamino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcycloheptan-1-amine?
1-[ethylamino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethylamino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 104738479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).