[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cycloheptyl]methanamine

C14H23F3N2 — CID 114489669

IUPAC[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cycloheptyl]methanamine
SMILESNCC1CCCCCC1N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)12-6-8-19(9-7-12)13-5-3-1-2-4-11(13)10-18/h6,11,13H,1-5,7-10,18H2
InChIKeyYTCVZXPBQXEGRB-UHFFFAOYSA-N
MW276.35 g/mol
LogP3.09
Rot. Bonds2

About [2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cycloheptyl]methanamine

[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cycloheptyl]methanamine (PubChem CID 114489669) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is [2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cycloheptyl]methanamine
PubChem CID114489669
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cycloheptyl]methanamine
SMILESNCC1CCCCCC1N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2/c15-14(16,17)12-6-8-19(9-7-12)13-5-3-1-2-4-11(13)10-18/h6,11,13H,1-5,7-10,18H2
InChIKeyYTCVZXPBQXEGRB-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[5-(fluoromethyl)-2,5-dihydro-1H-pyrrol-2-yl]-4-(trifluoromethyl)cyclohex-3-en-1-amine
CID 90434015
1-(cyclohepten-1-yl)-1-(4,4-difluorocyclohexyl)-N-methylmethanamine
CID 106657033
N-[cyclohepten-1-yl-(4,4-difluorocyclohexyl)methyl]ethanamine
CID 106657120
N-[cyclohepten-1-yl-(4,4-difluorocyclohexyl)methyl]propan-1-amine
CID 106657174
[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine
CID 113591608
[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclopentyl]methanamine
CID 113591610
3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopentan-1-amine
CID 113591672
2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopentan-1-amine
CID 113591677
1-cyclopropyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 113591682
3-methyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 113591691
1-(cyclohepten-1-yl)-1-(3,3-difluorocyclohexyl)-N-methylmethanamine
CID 114216002
[4-propyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexyl]methanamine
CID 114489693

Frequently Asked Questions

What is the IUPAC name of [2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cycloheptyl]methanamine?
The IUPAC name of [2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cycloheptyl]methanamine (CID 114489669) is [2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cycloheptyl]methanamine.
What is the SMILES notation for [2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cycloheptyl]methanamine?
The canonical SMILES for [2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cycloheptyl]methanamine is NCC1CCCCCC1N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of [2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cycloheptyl]methanamine?
The InChIKey is YTCVZXPBQXEGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2/c15-14(16,17)12-6-8-19(9-7-12)13-5-3-1-2-4-11(13)10-18/h6,11,13H,1-5,7-10,18H2.
What are the key properties of [2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cycloheptyl]methanamine?
[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cycloheptyl]methanamine has a molecular weight of 276.35 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cycloheptyl]methanamine is sourced from PubChem (CID 114489669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).