N-[2-cycloheptyl-1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine

C17H27FN2 — CID 115804158

IUPACN-[2-cycloheptyl-1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCCCC1)c1cncc(F)c1
InChIInChI=1S/C17H27FN2/c1-2-9-20-17(15-11-16(18)13-19-12-15)10-14-7-5-3-4-6-8-14/h11-14,17,20H,2-10H2,1H3
InChIKeyBXNRNXVRRZKRCU-UHFFFAOYSA-N
MW278.41 g/mol
LogP4.62
Rot. Bonds6

About N-[2-cycloheptyl-1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine

N-[2-cycloheptyl-1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine (PubChem CID 115804158) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is N-[2-cycloheptyl-1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cycloheptyl-1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine
PubChem CID115804158
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC NameN-[2-cycloheptyl-1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCCCC1)c1cncc(F)c1
InChIInChI=1S/C17H27FN2/c1-2-9-20-17(15-11-16(18)13-19-12-15)10-14-7-5-3-4-6-8-14/h11-14,17,20H,2-10H2,1H3
InChIKeyBXNRNXVRRZKRCU-UHFFFAOYSA-N
XLogP4.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-cyclopentyl-1-(3,4,5-trifluorophenyl)ethyl]propan-1-amine
CID 63417117
N-[2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethyl]propan-1-amine
CID 65296826
1-(5-fluoro-3-pyridinyl)-N-propylbut-3-en-1-amine
CID 116661087
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 43493979
N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102198
N-(2-cyclobutyl-1-pyridin-4-ylethyl)propan-1-amine
CID 65457651
N-[(1,1-dioxothian-2-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 115805156
N-[(2,2-dimethylcyclohexyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 107187920
1-(5-fluoro-3-pyridinyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105102311
N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 105113863
[2-(3-ethoxycyclobutyl)-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine
CID 103170402

Frequently Asked Questions

What is the IUPAC name of N-[2-cycloheptyl-1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cycloheptyl-1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine (CID 115804158) is N-[2-cycloheptyl-1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cycloheptyl-1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cycloheptyl-1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine is CCCNC(CC1CCCCCC1)c1cncc(F)c1.
What is the InChIKey of N-[2-cycloheptyl-1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine?
The InChIKey is BXNRNXVRRZKRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-2-9-20-17(15-11-16(18)13-19-12-15)10-14-7-5-3-4-6-8-14/h11-14,17,20H,2-10H2,1H3.
What are the key properties of N-[2-cycloheptyl-1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine?
N-[2-cycloheptyl-1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine has a molecular weight of 278.41 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cycloheptyl-1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 115804158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).