N-(2-cycloheptyl-2-pyridin-4-ylethyl)-2-methylpropan-2-amine

C18H30N2 — CID 82936677

IUPACN-(2-cycloheptyl-2-pyridin-4-ylethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(c1ccncc1)C1CCCCCC1
InChIInChI=1S/C18H30N2/c1-18(2,3)20-14-17(16-10-12-19-13-11-16)15-8-6-4-5-7-9-15/h10-13,15,17,20H,4-9,14H2,1-3H3
InChIKeyWBUPARUTUQMIJW-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.52
Rot. Bonds4

About N-(2-cycloheptyl-2-pyridin-4-ylethyl)-2-methylpropan-2-amine

N-(2-cycloheptyl-2-pyridin-4-ylethyl)-2-methylpropan-2-amine (PubChem CID 82936677) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-(2-cycloheptyl-2-pyridin-4-ylethyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(2-cycloheptyl-2-pyridin-4-ylethyl)-2-methylpropan-2-amine
PubChem CID82936677
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-(2-cycloheptyl-2-pyridin-4-ylethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(c1ccncc1)C1CCCCCC1
InChIInChI=1S/C18H30N2/c1-18(2,3)20-14-17(16-10-12-19-13-11-16)15-8-6-4-5-7-9-15/h10-13,15,17,20H,4-9,14H2,1-3H3
InChIKeyWBUPARUTUQMIJW-UHFFFAOYSA-N
XLogP4.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cycloheptyl-2-pyridin-4-ylethyl)cyclopropanamine
CID 82936425
N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 104819457
N-[2-cyclopropyl-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine
CID 113456690
N-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-2-amine
CID 82933829
N-[2-cyclohexyl-2-(2,4-dichlorophenyl)ethyl]-2-methylpropan-2-amine
CID 82923870
N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
CID 28646598
2-cycloheptyl-N-methyl-2-phenylethanamine
CID 82934094
2-cycloheptyl-N-methyl-2-(4-methylphenyl)ethanamine
CID 82933613
1-cyclooctyl-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66447758
N-(2-cycloheptyl-2-fluoroethyl)-2-methylpropan-2-amine
CID 107446700
(S)-cyclohexyl(pyridin-4-yl)methanol
CID 166771545
N-[2-(1,1-dioxothiolan-3-yl)-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 79430969

Frequently Asked Questions

What is the IUPAC name of N-(2-cycloheptyl-2-pyridin-4-ylethyl)-2-methylpropan-2-amine?
The IUPAC name of N-(2-cycloheptyl-2-pyridin-4-ylethyl)-2-methylpropan-2-amine (CID 82936677) is N-(2-cycloheptyl-2-pyridin-4-ylethyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(2-cycloheptyl-2-pyridin-4-ylethyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(2-cycloheptyl-2-pyridin-4-ylethyl)-2-methylpropan-2-amine is CC(C)(C)NCC(c1ccncc1)C1CCCCCC1.
What is the InChIKey of N-(2-cycloheptyl-2-pyridin-4-ylethyl)-2-methylpropan-2-amine?
The InChIKey is WBUPARUTUQMIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-18(2,3)20-14-17(16-10-12-19-13-11-16)15-8-6-4-5-7-9-15/h10-13,15,17,20H,4-9,14H2,1-3H3.
What are the key properties of N-(2-cycloheptyl-2-pyridin-4-ylethyl)-2-methylpropan-2-amine?
N-(2-cycloheptyl-2-pyridin-4-ylethyl)-2-methylpropan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cycloheptyl-2-pyridin-4-ylethyl)-2-methylpropan-2-amine is sourced from PubChem (CID 82936677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).